CID 100852

1-(4-chloro-2-methylphenyl)-piperazine

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂

SMILES

CC1=C(C=CC(=C1)Cl)N2CCNCC2

InChI

InChI=1S/C11H15ClN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3

InChIKey

MXEFOSLEAQWWDM-UHFFFAOYSA-N

Compound name

1-(4-chloro-2-methylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 210.09238 Da
Monoisotopic Mass: 2.8
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	146.4
[M+Na]+	233.08160	160.8
[M+NH4]+	228.12620	155.6
[M+K]+	249.05554	152.6
[M-H]-	209.08510	149.9
[M+Na-2H]-	231.06705	154.3
[M]+	210.09183	149.7
[M]-	210.09293	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe