CID 2423787

1-hydroxy-1h-1,2,3-benzotriazole-6-carboxylic acid

Structural Information

Molecular Formula
C7H5N3O3
SMILES
C1=CC2=C(C=C1C(=O)O)N(N=N2)O
InChI
InChI=1S/C7H5N3O3/c11-7(12)4-1-2-5-6(3-4)10(13)9-8-5/h1-3,13H,(H,11,12)
InChIKey
CQLAMJKGAKHIOC-UHFFFAOYSA-N
Compound name
3-hydroxybenzotriazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

317
Patents

179.0331 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04038 132.6
[M+Na]+ 202.02232 144.1
[M-H]- 178.02582 131.9
[M+NH4]+ 197.06692 150.4
[M+K]+ 217.99626 141.1
[M+H-H2O]+ 162.03036 125.8
[M+HCOO]- 224.03130 152.8
[M+CH3COO]- 238.04695 174.2
[M+Na-2H]- 200.00777 139.9
[M]+ 179.03255 134.4
[M]- 179.03365 134.4
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