N-(2-Hydroxyethyl)-2-pyrrolidone(3445-11-2) MS

Product NameN-(2-Hydroxyethyl)-2-pyrrolidone

CAS 3445-11-2

Molecular FormulaC6H11NO2

Molecular Weight129.16

InChIInChI=1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2

InChIKey WDQFELCEOPFLCZ-UHFFFAOYSA-N

SmilesN1(CCO)CCCC1=O

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N-(2-Hydroxyethyl)-2-pyrrolidone(3445-11-2) MS
Mass

MS-NW-1158          
1-(2-hydroxyethyl)-2-pyrrolidone
C6H11NO2            (Mass of molecular ion:    129)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       4.2
      18.0       2.8
      26.0       1.7
      27.0       8.7
      28.0      13.7
      29.0       2.6
      30.0       5.5
      31.0       5.2
      39.0       7.5
      40.0       2.4
      41.0      32.2
      42.0      18.7
      43.0      14.7
      44.0       4.0
      45.0       3.6
      54.0       1.9
      55.0       3.8
      56.0       5.9
      57.0       1.5
      59.0       2.0
      68.0       6.5
      69.0      24.7
      70.0      59.9
      71.0       4.8
      73.0       1.0
      74.0       1.0
      84.0       2.3
      86.0      19.4
      87.0       1.0
      98.0     100.0
      99.0      14.4
     100.0       1.2
     111.0      12.4
     112.0       1.2
     114.0      10.9
     128.0       1.1
     129.0      18.4
     130.0       1.3

90 MHz in CDCl3

N-(2-Hydroxyethyl)-2-pyrrolidone(3445-11-2) MS

¹H NMR	89.56 MHz
C₆ H₁₁ N O₂	0.04 ml : 0.5 ml CDCl₃
1-(2-hydroxyethyl)-2-pyrrolidone

    Assign.     Shift(ppm)

      A             3.75
      B             3.74
      C             3.51
      D             3.44
      E             2.40
      F             2.08

     Hz     ppm     Int.

    341.94   3.818    242
    341.38   3.812    253
    340.56   3.803    241
    339.94   3.796    251
    336.56   3.758    813
    333.56   3.725    428
    332.50   3.713    454
    321.25   3.587    514
    313.94   3.506    844
    312.88   3.494    374
    312.50   3.490    367
    311.94   3.484    347
    310.56   3.468    435
    309.94   3.461    392
    308.81   3.449    430
    307.38   3.433   1000
    303.31   3.387    213
    302.81   3.382    223
    302.44   3.377    228
    301.69   3.369    209
    223.88   2.500    212
    218.81   2.444    191
    217.00   2.423    508
    209.31   2.338    508
    198.69   2.219    196
    196.94   2.199    195
    191.56   2.139    366
    190.50   2.128    426
    188.44   2.105    145
    187.56   2.095    136
    184.06   2.056    525
    181.00   2.021    217
    177.56   1.983    160
    176.63   1.973    246
    174.13   1.945    151

in CDCl3