CID 18118

1-(1-cyclohexen-1-yl)piperidine

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

C1CCN(CC1)C2=CCCCC2

InChI

InChI=1S/C11H19N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7H,1-6,8-10H2

InChIKey

KPVMGWQGPJULFL-UHFFFAOYSA-N

Compound name

1-(cyclohexen-1-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 136
Patents: 165.15175 Da
Monoisotopic Mass: 3.0
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]+	166.159026	139.1
[M+Na]+	188.140968	141.7
[M-H]-	164.144474	142.5
[M+NH4]+	183.185573	157.4
[M+K]+	204.114908	139.6
[M+H-H2O]+	148.149010	131.2
[M+HCOO]-	210.149951	155.9
[M+CH3COO]-	224.165601	177.5
[M+Na-2H]-	186.126416	143.6
[M]+	165.15120142	130.3
[M]-	165.15229858	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe