CID 26117

13570-08-6

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C2C(=C1)NC(=N2)CC(=O)O
InChI
InChI=1S/C9H8N2O2/c12-9(13)5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey
GFTPLFVZKMIYAP-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

497
Patents

176.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 134.3
[M+Na]+ 199.047798 144.1
[M-H]- 175.051304 134.3
[M+NH4]+ 194.092403 153.4
[M+K]+ 215.021738 140.3
[M+H-H2O]+ 159.055840 127.9
[M+HCOO]- 221.056781 155.0
[M+CH3COO]- 235.072431 173.9
[M+Na-2H]- 197.033246 141.3
[M]+ 176.05803142 134.5
[M]- 176.05912858 134.5
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