CID 3809353

3-cyclohexylpiperidine

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

C1CCC(CC1)C2CCCNC2

InChI

InChI=1S/C11H21N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h10-12H,1-9H2

InChIKey

LEQKPQQOCKLKHK-UHFFFAOYSA-N

Compound name

3-cyclohexylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 124
Patents: 167.1674 Da
Monoisotopic Mass: 3.3
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]+	168.17468	142.8
[M+Na]+	190.15662	153.1
[M+NH4]+	185.20122	152.4
[M+K]+	206.13056	145.6
[M-H]-	166.16012	146.6
[M+Na-2H]-	188.14207	148.7
[M]+	167.16685	145.1
[M]-	167.16795	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe