CID 3039664

Piperidine, 1-(3-(4-biphenylyl)propyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅N

SMILES

C1CCN(CC1)CCCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N/c1-3-9-19(10-4-1)20-13-11-18(12-14-20)8-7-17-21-15-5-2-6-16-21/h1,3-4,9-14H,2,5-8,15-17H2

InChIKey

JBSMSJPFQBFLAS-UHFFFAOYSA-N

Compound name

1-[3-(4-phenylphenyl)propyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 279.1987 Da
Monoisotopic Mass: 5.0
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]+	280.205976	169.1
[M+Na]+	302.187918	172.2
[M-H]-	278.191424	175.5
[M+NH4]+	297.232523	182.6
[M+K]+	318.161858	166.4
[M+H-H2O]+	262.195960	158.8
[M+HCOO]-	324.196901	187.0
[M+CH3COO]-	338.212551	178.5
[M+Na-2H]-	300.173366	172.5
[M]+	279.19815142	163.9
[M]-	279.19924858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe