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
3
Annotation Hits

64
References

5459
Patents

112.03851 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04579 117.5
[M+Na]+ 135.02773 129.7
[M+NH4]+ 130.07233 124.2
[M+K]+ 151.00167 125.3
[M-H]- 111.03123 117.2
[M+Na-2H]- 133.01318 124.1
[M]+ 112.03796 118.7
[M]- 112.03906 118.7
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