CID 135448359

90993-88-7

Structural Information

Molecular Formula
C5H4N4O
SMILES
C1=CNC(=O)N2C1=NN=C2
InChI
InChI=1S/C5H4N4O/c10-5-6-2-1-4-8-7-3-9(4)5/h1-3H,(H,6,10)
InChIKey
VNMKCHFGAZFWKI-UHFFFAOYSA-N
Compound name
6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

136.03851 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.045786 122.2
[M+Na]+ 159.027728 134.7
[M-H]- 135.031234 121.1
[M+NH4]+ 154.072333 141.0
[M+K]+ 175.001668 131.3
[M+H-H2O]+ 119.035770 114.5
[M+HCOO]- 181.036711 143.7
[M+CH3COO]- 195.052361 136.3
[M+Na-2H]- 157.013176 132.6
[M]+ 136.03796142 123.0
[M]- 136.03905858 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe