CID 225773

40508-01-8

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CC1=NC2=CC=CC=C2N1CCC(=O)N

InChI

InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)

InChIKey

HZTUIHZIQKFSIL-UHFFFAOYSA-N

Compound name

3-(2-methylbenzimidazol-1-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.10587 Da
Monoisotopic Mass: 0.6
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]+	204.11315	143.6
[M+Na]+	226.09509	155.9
[M+NH4]+	221.13969	151.2
[M+K]+	242.06903	151.7
[M-H]-	202.09859	144.8
[M+Na-2H]-	224.08054	149.2
[M]+	203.10532	145.5
[M]-	203.10642	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.