CID 79143

1-methylcytosine

Structural Information

Molecular Formula
C5H7N3O
SMILES
CN1C=CC(=NC1=O)N
InChI
InChI=1S/C5H7N3O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3,(H2,6,7,9)
InChIKey
HWPZZUQOWRWFDB-UHFFFAOYSA-N
Compound name
4-amino-1-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

87
References

8333
Patents

125.058914 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 121.6
[M+Na]+ 148.04813 134.6
[M+NH4]+ 143.09274 129.2
[M+K]+ 164.02207 129.4
[M-H]- 124.05164 122.8
[M+Na-2H]- 146.03358 128.6
[M]+ 125.05837 123.5
[M]- 125.05946 123.5
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