CID 14963861

1-acryloylpiperidin-4-one

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C=CC(=O)N1CCC(=O)CC1

InChI

InChI=1S/C8H11NO2/c1-2-8(11)9-5-3-7(10)4-6-9/h2H,1,3-6H2

InChIKey

XUZOTORSRZQIJN-UHFFFAOYSA-N

Compound name

1-prop-2-enoylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 153.07898 Da
Monoisotopic Mass: -0.2
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]+	154.08626	133.5
[M+Na]+	176.06820	143.9
[M+NH4]+	171.11280	140.8
[M+K]+	192.04214	138.6
[M-H]-	152.07170	133.6
[M+Na-2H]-	174.05365	137.4
[M]+	153.07843	134.6
[M]-	153.07953	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe