CID 63032694

756413-36-2

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1CNCC1C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C11H13N3/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14)

InChIKey

OFQGVINTJUCLFL-UHFFFAOYSA-N

Compound name

2-pyrrolidin-3-yl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 187.11095 Da
Monoisotopic Mass: 1.3
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]+	188.118226	139.8
[M+Na]+	210.100168	148.1
[M-H]-	186.103674	141.1
[M+NH4]+	205.144773	158.5
[M+K]+	226.074108	143.0
[M+H-H2O]+	170.108210	131.8
[M+HCOO]-	232.109151	158.3
[M+CH3COO]-	246.124801	151.7
[M+Na-2H]-	208.085616	144.1
[M]+	187.11040142	135.3
[M]-	187.11149858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe