CID 3746536

136422-52-1

Structural Information

Molecular Formula

C₁₂H₁₆ClN

SMILES

C1CC(CNC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H16ClN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2

InChIKey

VEVHEHZAQHSNBX-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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