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: 89
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]+	184.16959	145.7
[M+Na]+	206.15153	155.6
[M+NH4]+	201.19613	153.7
[M+K]+	222.12547	148.9
[M-H]-	182.15503	146.7
[M+Na-2H]-	204.13698	149.8
[M]+	183.16176	147.1
[M]-	183.16286	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe