CID 768518

247128-20-7

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1=CC2=C(C=C1C(=O)O)NC(=N2)CO
InChI
InChI=1S/C9H8N2O3/c12-4-8-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,12H,4H2,(H,10,11)(H,13,14)
InChIKey
LIBZUTVUUNNXNP-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

192.0535 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.7
[M+Na]+ 215.042718 147.8
[M-H]- 191.046224 136.7
[M+NH4]+ 210.087323 155.6
[M+K]+ 231.016658 143.8
[M+H-H2O]+ 175.050760 131.6
[M+HCOO]- 237.051701 157.1
[M+CH3COO]- 251.067351 174.8
[M+Na-2H]- 213.028166 143.5
[M]+ 192.05295142 137.8
[M]- 192.05404858 137.8
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