CID 12250883

2378503-27-4

Structural Information

Molecular Formula
C8H6N4O2
SMILES
C1=CC=NC(=C1)C2=NNC(=N2)C(=O)O
InChI
InChI=1S/C8H6N4O2/c13-8(14)7-10-6(11-12-7)5-3-1-2-4-9-5/h1-4H,(H,13,14)(H,10,11,12)
InChIKey
KBNYLDUVTQSDNS-UHFFFAOYSA-N
Compound name
3-pyridin-2-yl-1H-1,2,4-triazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

190.04907 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05635 138.9
[M+Na]+ 213.03829 151.0
[M+NH4]+ 208.08289 144.5
[M+K]+ 229.01223 148.8
[M-H]- 189.04179 138.3
[M+Na-2H]- 211.02374 145.5
[M]+ 190.04852 140.0
[M]- 190.04962 140.0
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