CID 3155311

1095080-29-7

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC(C(=O)O)N1C=NC2=CC=CC=C21
InChI
InChI=1S/C10H10N2O2/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14)
InChIKey
KPWHLUYPAQJXFJ-UHFFFAOYSA-N
Compound name
2-(benzimidazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

123
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 138.7
[M+Na]+ 213.06345 148.2
[M-H]- 189.06695 140.0
[M+NH4]+ 208.10805 157.9
[M+K]+ 229.03739 145.6
[M+H-H2O]+ 173.07149 131.9
[M+HCOO]- 235.07243 159.6
[M+CH3COO]- 249.08808 180.3
[M+Na-2H]- 211.04890 144.5
[M]+ 190.07368 140.5
[M]- 190.07478 140.5
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.