CID 3056502

H 571

Structural Information

Molecular Formula

C₁₅H₂₂ClN

SMILES

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

InChI

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

InChIKey

RHWGOUVZSMFSDK-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)-2-methylpropyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	252.151346	159.4
[M+Na]+	274.133288	163.7
[M-H]-	250.136794	163.2
[M+NH4]+	269.177893	175.6
[M+K]+	290.107228	159.1
[M+H-H2O]+	234.141330	151.8
[M+HCOO]-	296.142271	171.2
[M+CH3COO]-	310.157921	195.3
[M+Na-2H]-	272.118736	160.3
[M]+	251.14352142	156.3
[M]-	251.14461858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe