CID 156358

75655-44-6

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1=CC=C2C(=C1)NC(=O)N2CCC(=O)O
InChI
InChI=1S/C10H10N2O3/c13-9(14)5-6-12-8-4-2-1-3-7(8)11-10(12)15/h1-4H,5-6H2,(H,11,15)(H,13,14)
InChIKey
KTUDVLVVDHKDTB-UHFFFAOYSA-N
Compound name
3-(2-oxo-3H-benzimidazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

14
Patents

206.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.1
[M+Na]+ 229.058358 151.5
[M-H]- 205.061864 141.3
[M+NH4]+ 224.102963 159.2
[M+K]+ 245.032298 147.5
[M+H-H2O]+ 189.066400 134.6
[M+HCOO]- 251.067341 161.8
[M+CH3COO]- 265.082991 179.5
[M+Na-2H]- 227.043806 146.9
[M]+ 206.06859142 142.8
[M]- 206.06968858 142.8
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