CID 67086565

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

Structural Information

Molecular Formula
C10H9N3O3
SMILES
COC1=CC(=C(C=C1)N2N=CC=N2)C(=O)O
InChI
InChI=1S/C10H9N3O3/c1-16-7-2-3-9(8(6-7)10(14)15)13-11-4-5-12-13/h2-6H,1H3,(H,14,15)
InChIKey
OFURCFFCWJMVKQ-UHFFFAOYSA-N
Compound name
5-methoxy-2-(triazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

219.06439 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 144.8
[M+Na]+ 242.05361 154.2
[M-H]- 218.05711 147.1
[M+NH4]+ 237.09821 160.1
[M+K]+ 258.02755 151.7
[M+H-H2O]+ 202.06165 136.3
[M+HCOO]- 264.06259 165.6
[M+CH3COO]- 278.07824 184.1
[M+Na-2H]- 240.03906 149.3
[M]+ 219.06384 146.6
[M]- 219.06494 146.6
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