CID 53260165

5-methyl-2-(2h-1,2,3-triazol-2-yl)benzoic acid

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)O
InChI
InChI=1S/C10H9N3O2/c1-7-2-3-9(8(6-7)10(14)15)13-11-4-5-12-13/h2-6H,1H3,(H,14,15)
InChIKey
SRBAGFIYKNQXDV-UHFFFAOYSA-N
Compound name
5-methyl-2-(triazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

549
Patents

203.06947 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 142.1
[M+Na]+ 226.05869 151.7
[M-H]- 202.06219 144.4
[M+NH4]+ 221.10329 158.2
[M+K]+ 242.03263 148.6
[M+H-H2O]+ 186.06673 133.8
[M+HCOO]- 248.06767 162.8
[M+CH3COO]- 262.08332 181.9
[M+Na-2H]- 224.04414 146.6
[M]+ 203.06892 142.6
[M]- 203.07002 142.6
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

patents stripe