CID 597

Cytosine

Structural Information

Molecular Formula
C4H5N3O
SMILES
C1=C(NC(=O)N=C1)N
InChI
InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKey
OPTASPLRGRRNAP-UHFFFAOYSA-N
Compound name
6-amino-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

16351
References

27039
Patents

111.04326 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.05054 117.5
[M+Na]+ 134.03248 129.8
[M+NH4]+ 129.07708 125.0
[M+K]+ 150.00642 125.0
[M-H]- 110.03598 118.1
[M+Na-2H]- 132.01793 124.4
[M]+ 111.04271 119.1
[M]- 111.04381 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe