CID 204995

1-(beta-butoxy-4-chloro-3-methylphenethyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₈ClNO

SMILES

CCC(C)OC(CC1=CC(=C(C=C1)Cl)C)N2CCCCC2

InChI

InChI=1S/C18H28ClNO/c1-4-15(3)21-18(20-10-6-5-7-11-20)13-16-8-9-17(19)14(2)12-16/h8-9,12,15,18H,4-7,10-11,13H2,1-3H3

InChIKey

COEXBWSLJZLWTA-UHFFFAOYSA-N

Compound name

1-[1-butan-2-yloxy-2-(4-chloro-3-methylphenyl)ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.18594 Da
Monoisotopic Mass: 5.4
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]+	310.193216	175.9
[M+Na]+	332.175158	179.8
[M-H]-	308.178664	179.5
[M+NH4]+	327.219763	190.0
[M+K]+	348.149098	175.1
[M+H-H2O]+	292.183200	167.9
[M+HCOO]-	354.184141	186.9
[M+CH3COO]-	368.199791	207.3
[M+Na-2H]-	330.160606	174.5
[M]+	309.18539142	175.7
[M]-	309.18648858	175.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.