CID 709722

1h-benzimidazole-2-propanoic acid, b-hydroxy-, (s)-

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1=CC=C2C(=C1)NC(=N2)[C@H](CC(=O)O)O
InChI
InChI=1S/C10H10N2O3/c13-8(5-9(14)15)10-11-6-3-1-2-4-7(6)12-10/h1-4,8,13H,5H2,(H,11,12)(H,14,15)/t8-/m0/s1
InChIKey
JXNVLFRNSKOUIE-QMMMGPOBSA-N
Compound name
(3S)-3-(1H-benzimidazol-2-yl)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 142.5
[M+Na]+ 229.05836 150.9
[M-H]- 205.06186 141.0
[M+NH4]+ 224.10296 159.4
[M+K]+ 245.03230 147.2
[M+H-H2O]+ 189.06640 136.1
[M+HCOO]- 251.06734 160.5
[M+CH3COO]- 265.08299 177.5
[M+Na-2H]- 227.04381 147.4
[M]+ 206.06859 142.0
[M]- 206.06969 142.0
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

No patent data available for this compound.