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: 104
Patents: 190.07423 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe