CID 204604

Benzimidazole, 2-(2-(1-pyrrolidinyl)ethyl)-

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

C1CCN(C1)CCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H17N3/c1-2-6-12-11(5-1)14-13(15-12)7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,14,15)

InChIKey

MYGTZWXBSAHKNF-UHFFFAOYSA-N

Compound name

2-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.14224 Da
Monoisotopic Mass: 2.1
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]+	216.149516	148.6
[M+Na]+	238.131458	156.4
[M-H]-	214.134964	150.8
[M+NH4]+	233.176063	166.8
[M+K]+	254.105398	151.6
[M+H-H2O]+	198.139500	139.8
[M+HCOO]-	260.140441	167.9
[M+CH3COO]-	274.156091	160.2
[M+Na-2H]-	236.116906	152.1
[M]+	215.14169142	146.4
[M]-	215.14278858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe