CID 3056536

73790-86-0

Structural Information

Molecular Formula

C₁₆H₂₅N

SMILES

CCCCC(C1=CC=CC=C1)N2CCCCC2

InChI

InChI=1S/C16H25N/c1-2-3-12-16(15-10-6-4-7-11-15)17-13-8-5-9-14-17/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3

InChIKey

LRIGRSPMFXXINE-UHFFFAOYSA-N

Compound name

1-(1-phenylpentyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 231.1987 Da
Monoisotopic Mass: 4.4
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]+	232.205976	158.2
[M+Na]+	254.187918	160.5
[M-H]-	230.191424	161.5
[M+NH4]+	249.232523	174.0
[M+K]+	270.161858	157.1
[M+H-H2O]+	214.195960	149.5
[M+HCOO]-	276.196901	175.2
[M+CH3COO]-	290.212551	192.6
[M+Na-2H]-	252.173366	160.9
[M]+	231.19815142	153.5
[M]-	231.19924858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe