CID 22379054

1373028-17-1

Structural Information

Molecular Formula

C₁₂H₁₆ClN

SMILES

C1CNCCC1CC2=CC(=CC=C2)Cl

InChI

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

InChIKey

CHIQMUCBWUBNNK-UHFFFAOYSA-N

Compound name

4-[(3-chlorophenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
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	146.6
[M+Na]+	232.08634	152.3
[M-H]-	208.08984	149.3
[M+NH4]+	227.13094	163.9
[M+K]+	248.06028	146.6
[M+H-H2O]+	192.09438	139.7
[M+HCOO]-	254.09532	159.8
[M+CH3COO]-	268.11097	157.5
[M+Na-2H]-	230.07179	151.0
[M]+	209.09657	141.7
[M]-	209.09767	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe