CID 3046602

62467-89-4

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC(C1=CC2=C(C=C1)N=CN2)C(=O)O
InChI
InChI=1S/C10H10N2O2/c1-6(10(13)14)7-2-3-8-9(4-7)12-5-11-8/h2-6H,1H3,(H,11,12)(H,13,14)
InChIKey
NQNLBJJOKNPSGI-UHFFFAOYSA-N
Compound name
2-(3H-benzimidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 139.3
[M+Na]+ 213.06345 151.2
[M+NH4]+ 208.10805 146.4
[M+K]+ 229.03739 148.3
[M-H]- 189.06695 138.8
[M+Na-2H]- 211.04890 144.2
[M]+ 190.07368 140.6
[M]- 190.07478 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.