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-methylpyridin-2-yl)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]+ 249.09822 155.1
[M+Na]+ 271.08016 167.4
[M+NH4]+ 266.12476 160.0
[M+K]+ 287.05410 165.1
[M-H]- 247.08366 154.6
[M+Na-2H]- 269.06561 160.6
[M]+ 248.09039 156.4
[M]- 248.09149 156.4
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

No patent data available for this compound.