CID 3056508

H 271

Structural Information

Molecular Formula

C₁₅H₂₂ClN

SMILES

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

InChI

InChI=1S/C15H22ClN/c1-2-6-15(17-11-4-3-5-12-17)13-7-9-14(16)10-8-13/h7-10,15H,2-6,11-12H2,1H3

InChIKey

CYNYJWPUCONHHZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 251.14407 Da
Monoisotopic Mass: 4.5
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]+	252.151346	159.9
[M+Na]+	274.133288	164.3
[M-H]-	250.136794	163.5
[M+NH4]+	269.177893	176.0
[M+K]+	290.107228	159.3
[M+H-H2O]+	234.141330	152.0
[M+HCOO]-	296.142271	172.6
[M+CH3COO]-	310.157921	194.4
[M+Na-2H]-	272.118736	161.9
[M]+	251.14352142	157.2
[M]-	251.14461858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe