CID 62054207

1250695-77-2

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]+ 223.082566 144.9
[M+Na]+ 245.064508 156.5
[M-H]- 221.068014 147.6
[M+NH4]+ 240.109113 159.7
[M+K]+ 261.038448 155.2
[M+H-H2O]+ 205.072550 136.9
[M+HCOO]- 267.073491 165.9
[M+CH3COO]- 281.089141 185.4
[M+Na-2H]- 243.049956 147.8
[M]+ 222.07474142 150.1
[M]- 222.07583858 150.1
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.