CID 135741613

59282-83-6

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CC(=CN=C1)C2=NNC(=O)N2
InChI
InChI=1S/C7H6N4O/c12-7-9-6(10-11-7)5-2-1-3-8-4-5/h1-4H,(H2,9,10,11,12)
InChIKey
JVOIBEVPZKHMKO-UHFFFAOYSA-N
Compound name
3-pyridin-3-yl-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

162.05415 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 131.9
[M+Na]+ 185.04337 145.0
[M+NH4]+ 180.08797 138.3
[M+K]+ 201.01731 141.6
[M-H]- 161.04687 132.0
[M+Na-2H]- 183.02882 139.6
[M]+ 162.05360 133.5
[M]- 162.05470 133.5
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

No patent data available for this compound.