CID 18325046

884504-57-8

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC(C1=NC2=CC=CC=C2N1)C(=O)O
InChI
InChI=1S/C10H10N2O2/c1-6(10(13)14)9-11-7-4-2-3-5-8(7)12-9/h2-6H,1H3,(H,11,12)(H,13,14)
InChIKey
ODWFHOJKRNDFFL-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

190.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 139.3
[M+Na]+ 213.06345 148.4
[M-H]- 189.06695 139.2
[M+NH4]+ 208.10805 157.7
[M+K]+ 229.03739 144.8
[M+H-H2O]+ 173.07149 132.8
[M+HCOO]- 235.07243 158.7
[M+CH3COO]- 249.08808 177.8
[M+Na-2H]- 211.04890 144.5
[M]+ 190.07368 139.2
[M]- 190.07478 139.2
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