CID 3056498

73790-61-1

Structural Information

Molecular Formula

C₁₅H₂₂ClN

SMILES

CCC(C1=CC=C(C=C1)Cl)N2CCCC(C2)C

InChI

InChI=1S/C15H22ClN/c1-3-15(13-6-8-14(16)9-7-13)17-10-4-5-12(2)11-17/h6-9,12,15H,3-5,10-11H2,1-2H3

InChIKey

IMEBCLYNJWHUHW-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)propyl]-3-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.14407 Da
Monoisotopic Mass: 4.6
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]+	252.15135	159.5
[M+Na]+	274.13329	165.0
[M-H]-	250.13679	163.6
[M+NH4]+	269.17789	176.1
[M+K]+	290.10723	160.0
[M+H-H2O]+	234.14133	152.0
[M+HCOO]-	296.14227	172.3
[M+CH3COO]-	310.15792	195.5
[M+Na-2H]-	272.11874	160.9
[M]+	251.14352	157.4
[M]-	251.14462	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe