CID 3056516

H 471

Structural Information

Molecular Formula

C₁₆H₂₄ClN

SMILES

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

InChI

InChI=1S/C16H24ClN/c1-2-3-7-16(18-12-5-4-6-13-18)14-8-10-15(17)11-9-14/h8-11,16H,2-7,12-13H2,1H3

InChIKey

MTXQEKZAKJLQNR-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)pentyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.15973 Da
Monoisotopic Mass: 5.1
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	164.4
[M+Na]+	288.14895	168.5
[M-H]-	264.15245	167.8
[M+NH4]+	283.19355	180.0
[M+K]+	304.12289	163.2
[M+H-H2O]+	248.15699	156.4
[M+HCOO]-	310.15793	176.8
[M+CH3COO]-	324.17358	197.4
[M+Na-2H]-	286.13440	165.9
[M]+	265.15918	162.2
[M]-	265.16028	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe