CID 764727

1-(3-chlorobenzyl)piperazine

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂

SMILES

C1CN(CCN1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H15ClN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2

InChIKey

JTEQMTYOCBFLNH-UHFFFAOYSA-N

Compound name

1-[(3-chlorophenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 166
Patents: 210.09238 Da
Monoisotopic Mass: 2.0
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]+	211.09966	146.6
[M+Na]+	233.08160	160.7
[M+NH4]+	228.12620	155.9
[M+K]+	249.05554	152.2
[M-H]-	209.08510	150.1
[M+Na-2H]-	231.06705	154.8
[M]+	210.09183	149.9
[M]-	210.09293	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe