CID 18422076

2-(1h-1,2,4-triazol-1-yl)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H6N4O2
SMILES
C1=CN=C(C=C1C(=O)O)N2C=NC=N2
InChI
InChI=1S/C8H6N4O2/c13-8(14)6-1-2-10-7(3-6)12-5-9-4-11-12/h1-5H,(H,13,14)
InChIKey
NTTPOXNTFBISRL-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-1-yl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 137.6
[M+Na]+ 213.03829 147.1
[M-H]- 189.04179 138.3
[M+NH4]+ 208.08289 152.4
[M+K]+ 229.01223 144.2
[M+H-H2O]+ 173.04633 128.4
[M+HCOO]- 235.04727 157.5
[M+CH3COO]- 249.06292 150.0
[M+Na-2H]- 211.02374 143.7
[M]+ 190.04852 137.4
[M]- 190.04962 137.4
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