CID 61702026

4-methyl-2-(4h-1,2,4-triazol-3-yl)pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C8H7N5O2
SMILES
CC1=NC(=NC=C1C(=O)O)C2=NC=NN2
InChI
InChI=1S/C8H7N5O2/c1-4-5(8(14)15)2-9-6(12-4)7-10-3-11-13-7/h2-3H,1H3,(H,14,15)(H,10,11,13)
InChIKey
MUVCALKZMCNFQW-UHFFFAOYSA-N
Compound name
4-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05997 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06725 143.2
[M+Na]+ 228.04919 155.5
[M+NH4]+ 223.09379 148.0
[M+K]+ 244.02313 153.7
[M-H]- 204.05269 141.9
[M+Na-2H]- 226.03464 149.2
[M]+ 205.05942 144.2
[M]- 205.06052 144.2
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.