CID 3056510

73790-67-7

Structural Information

Molecular Formula

C₁₆H₂₄ClN

SMILES

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

InChI

InChI=1S/C16H24ClN/c1-3-5-16(14-7-9-15(17)10-8-14)18-11-4-6-13(2)12-18/h7-10,13,16H,3-6,11-12H2,1-2H3

InChIKey

GRHBLYMUKQRZSX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	266.16701	164.2
[M+Na]+	288.14895	169.2
[M-H]-	264.15245	168.0
[M+NH4]+	283.19355	180.1
[M+K]+	304.12289	163.9
[M+H-H2O]+	248.15699	156.4
[M+HCOO]-	310.15793	176.5
[M+CH3COO]-	324.17358	198.5
[M+Na-2H]-	286.13440	164.9
[M]+	265.15918	162.3
[M]-	265.16028	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe