CID 43363487

1-(2-methylphenyl)-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CC1=CC=CC=C1N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C10H9N3O2/c1-7-4-2-3-5-9(7)13-6-8(10(14)15)11-12-13/h2-6H,1H3,(H,14,15)
InChIKey
DAYJQFRBEKQYDR-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

203.06947 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 143.2
[M+Na]+ 226.05869 156.1
[M+NH4]+ 221.10329 149.7
[M+K]+ 242.03263 153.0
[M-H]- 202.06219 144.0
[M+Na-2H]- 224.04414 150.2
[M]+ 203.06892 145.0
[M]- 203.07002 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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