CID 3056514

73790-69-9

Structural Information

Molecular Formula

C₁₆H₂₄ClN

SMILES

CC(C)CC(C1=CC=C(C=C1)Cl)N2CCCCC2

InChI

InChI=1S/C16H24ClN/c1-13(2)12-16(18-10-4-3-5-11-18)14-6-8-15(17)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3

InChIKey

QJSNMSQIPWLITK-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)-3-methylbutyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.15973 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]+	266.167006	164.1
[M+Na]+	288.148948	167.8
[M-H]-	264.152454	167.6
[M+NH4]+	283.193553	179.6
[M+K]+	304.122888	163.0
[M+H-H2O]+	248.156990	156.2
[M+HCOO]-	310.157931	175.5
[M+CH3COO]-	324.173581	198.3
[M+Na-2H]-	286.134396	164.4
[M]+	265.15918142	161.2
[M]-	265.16027858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe