CID 62054207

5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H10N4O3
SMILES
CC1=CC(=NO1)CN2C(=C(N=N2)C(=O)O)C
InChI
InChI=1S/C9H10N4O3/c1-5-3-7(11-16-5)4-13-6(2)8(9(14)15)10-12-13/h3H,4H2,1-2H3,(H,14,15)
InChIKey
BMVUZHMNCQXAKK-UHFFFAOYSA-N
Compound name
5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.07529 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08257 146.1
[M+Na]+ 245.06451 158.1
[M+NH4]+ 240.10911 151.0
[M+K]+ 261.03845 158.9
[M-H]- 221.06801 146.3
[M+Na-2H]- 243.04996 150.7
[M]+ 222.07474 147.5
[M]- 222.07584 147.5
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.