CID 19956

5-azacytosine

Structural Information

Molecular Formula
C3H4N4O
SMILES
C1=NC(=O)NC(=N1)N
InChI
InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)
InChIKey
MFEFTTYGMZOIKO-UHFFFAOYSA-N
Compound name
6-amino-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

64
References

6209
Patents

112.03851 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.045786 118.4
[M+Na]+ 135.027728 128.5
[M-H]- 111.031234 116.9
[M+NH4]+ 130.072333 136.0
[M+K]+ 151.001668 126.0
[M+H-H2O]+ 95.035770 111.3
[M+HCOO]- 157.036711 140.3
[M+CH3COO]- 171.052361 165.4
[M+Na-2H]- 133.013176 127.9
[M]+ 112.03796142 115.1
[M]- 112.03905858 115.1
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