CID 130920947

2413883-98-2

Structural Information

Molecular Formula
C9H8N4O2
SMILES
CN1C=NN=C1C2=C(N=CC=C2)C(=O)O
InChI
InChI=1S/C9H8N4O2/c1-13-5-11-12-8(13)6-3-2-4-10-7(6)9(14)15/h2-5H,1H3,(H,14,15)
InChIKey
LMTKWKASWNBHEG-UHFFFAOYSA-N
Compound name
3-(4-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.06473 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07201 142.4
[M+Na]+ 227.05395 152.4
[M-H]- 203.05745 143.4
[M+NH4]+ 222.09855 157.0
[M+K]+ 243.02789 149.2
[M+H-H2O]+ 187.06199 133.3
[M+HCOO]- 249.06293 161.9
[M+CH3COO]- 263.07858 182.0
[M+Na-2H]- 225.03940 147.2
[M]+ 204.06418 142.9
[M]- 204.06528 142.9
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

No patent data available for this compound.