CID 246831

1-hexanoylpiperidine

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CCCCCC(=O)N1CCCCC1

InChI

InChI=1S/C11H21NO/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h2-10H2,1H3

InChIKey

WQQIRPPFBDVVLP-UHFFFAOYSA-N

Compound name

1-piperidin-1-ylhexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 78
Patents: 183.16231 Da
Monoisotopic Mass: 2.5
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]+	184.169586	145.7
[M+Na]+	206.151528	149.2
[M-H]-	182.155034	146.4
[M+NH4]+	201.196133	164.0
[M+K]+	222.125468	147.9
[M+H-H2O]+	166.159570	138.8
[M+HCOO]-	228.160511	163.4
[M+CH3COO]-	242.176161	182.5
[M+Na-2H]-	204.136976	148.6
[M]+	183.16176142	142.6
[M]-	183.16285858	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe