Cytosine(71-30-7) IR2
Molecular FormulaC4H5N3O
Molecular Weight111.1
InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKey OPTASPLRGRRNAP-UHFFFAOYSA-N
SmilesC1(=O)NC(N)=CC=N1
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MassMS-NW-8151 cytosine C4H5N3O (Mass of molecular ion: 111)
Source Temperature: 190 °C Sample Temperature: 180 °C Direct, 75 eV
18.0 3.4 26.0 1.2 27.0 1.6 28.0 14.2 29.0 2.4 38.0 1.4 39.0 2.8 40.0 11.3 41.0 19.0 42.0 12.4 43.0 6.6 44.0 3.3 52.0 2.2 53.0 1.1 55.0 2.6 56.0 2.8 66.0 4.0 67.0 15.7 68.0 18.2 69.0 22.7 70.0 1.0 83.0 14.4 84.0 1.7 95.0 4.7 110.0 1.8 111.0 100.0 112.0 8.0
400 MHz in D2O
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1H NMR 399.65 MHz C4 H5 N3 O saturated in D2O cytosine 
Assign. Shift(ppm)
A 7.498 B 5.970 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.3000.37 7.508 975 2993.16 7.490 1000 2389.77 5.980 634 2382.57 5.962 617
in D2O
in DMSO-d6
KBr disc
nujol mull
