CID 82896159

1-[(4-methoxy-6-methylpyridin-2-yl)methyl]-1h-1,2,3-triazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H12N4O3
SMILES
CC1=CC(=CC(=N1)CN2C=C(N=N2)C(=O)O)OC
InChI
InChI=1S/C11H12N4O3/c1-7-3-9(18-2)4-8(12-7)5-15-6-10(11(16)17)13-14-15/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKey
VWBSUYAHEIXLSK-UHFFFAOYSA-N
Compound name
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09094 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.098216 154.1
[M+Na]+ 271.080158 164.0
[M-H]- 247.083664 155.2
[M+NH4]+ 266.124763 167.1
[M+K]+ 287.054098 160.9
[M+H-H2O]+ 231.088200 144.8
[M+HCOO]- 293.089141 173.1
[M+CH3COO]- 307.104791 191.2
[M+Na-2H]- 269.065606 157.2
[M]+ 248.09039142 157.1
[M]- 248.09148858 157.1
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.