CID 22350168

5-hydroxy-1h-1,3-benzodiazole-2-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC2=C(C=C1O)NC(=N2)C(=O)O
InChI
InChI=1S/C8H6N2O3/c11-4-1-2-5-6(3-4)10-7(9-5)8(12)13/h1-3,11H,(H,9,10)(H,12,13)
InChIKey
NTSCJPTZMFBBEG-UHFFFAOYSA-N
Compound name
6-hydroxy-1H-benzimidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

178.03784 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 133.1
[M+Na]+ 201.02706 143.7
[M-H]- 177.03056 132.2
[M+NH4]+ 196.07166 151.6
[M+K]+ 217.00100 139.8
[M+H-H2O]+ 161.03510 127.2
[M+HCOO]- 223.03604 152.8
[M+CH3COO]- 237.05169 171.8
[M+Na-2H]- 199.01251 139.5
[M]+ 178.03729 132.9
[M]- 178.03839 132.9
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

patents stripe