CID 45083124

564484-66-8

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C=CCN1CC(CCC1=O)O

InChI

InChI=1S/C8H13NO2/c1-2-5-9-6-7(10)3-4-8(9)11/h2,7,10H,1,3-6H2

InChIKey

QWRYYGDQXQIYHL-UHFFFAOYSA-N

Compound name

5-hydroxy-1-prop-2-enylpiperidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.09464 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]+	156.10192	134.1
[M+Na]+	178.08386	144.6
[M+NH4]+	173.12846	141.4
[M+K]+	194.05780	139.1
[M-H]-	154.08736	134.2
[M+Na-2H]-	176.06931	137.7
[M]+	155.09409	135.2
[M]-	155.09519	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.