CID 3059024

76000-01-6

Structural Information

Molecular Formula

C₁₄H₂₀ClN

SMILES

C1CNCCC1CCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H20ClN/c15-14-6-4-12(5-7-14)2-1-3-13-8-10-16-11-9-13/h4-7,13,16H,1-3,8-11H2

InChIKey

VDRHBNNWUPCZNY-UHFFFAOYSA-N

Compound name

4-[3-(4-chlorophenyl)propyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 237.12843 Da
Monoisotopic Mass: 4.2
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]+	238.135706	155.7
[M+Na]+	260.117648	160.4
[M-H]-	236.121154	157.9
[M+NH4]+	255.162253	171.8
[M+K]+	276.091588	154.2
[M+H-H2O]+	220.125690	148.2
[M+HCOO]-	282.126631	168.2
[M+CH3COO]-	296.142281	188.0
[M+Na-2H]-	258.103096	159.0
[M]+	237.12788142	151.4
[M]-	237.12897858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe