CID 65040

5-methylcytosine

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC1=C(NC(=O)N=C1)N
InChI
InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
InChIKey
LRSASMSXMSNRBT-UHFFFAOYSA-N
Compound name
6-amino-5-methyl-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3984
References

97292
Patents

125.058914 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.0
[M+Na]+ 148.04813 134.5
[M+NH4]+ 143.09274 129.3
[M+K]+ 164.02207 129.6
[M-H]- 124.05164 122.7
[M+Na-2H]- 146.03358 128.4
[M]+ 125.05837 123.7
[M]- 125.05946 123.7
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