CID 3732780

4-(4-chlorobenzyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆ClN

SMILES

C1CNCCC1CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H16ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2

InChIKey

VPESQEWIPDEGSY-UHFFFAOYSA-N

Compound name

4-[(4-chlorophenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 209.09712 Da
Monoisotopic Mass: 3.1
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]+	210.10440	146.7
[M+Na]+	232.08634	160.8
[M+NH4]+	227.13094	156.7
[M+K]+	248.06028	151.9
[M-H]-	208.08984	151.1
[M+Na-2H]-	230.07179	155.1
[M]+	209.09657	150.3
[M]-	209.09767	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe