CID 122563

1-acetyl-4-piperidone

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CC(=O)N1CCC(=O)CC1

InChI

InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3

InChIKey

NNFOVLFUGLWWCL-UHFFFAOYSA-N

Compound name

1-acetylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1520
Patents: 141.07898 Da
Monoisotopic Mass: -0.8
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]+	142.08626	129.8
[M+Na]+	164.06820	140.4
[M+NH4]+	159.11280	137.5
[M+K]+	180.04214	135.4
[M-H]-	140.07170	130.2
[M+Na-2H]-	162.05365	134.1
[M]+	141.07843	131.0
[M]-	141.07953	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe