CID 23510988

1-(3-hydroxypropyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1=CC(=O)N(C=C1)CCCO

InChI

InChI=1S/C8H11NO2/c10-7-3-6-9-5-2-1-4-8(9)11/h1-2,4-5,10H,3,6-7H2

InChIKey

QLAGPCJUAFNZGR-UHFFFAOYSA-N

Compound name

1-(3-hydroxypropyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 153.07898 Da
Monoisotopic Mass: 0.1
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	130.4
[M+Na]+	176.06820	143.3
[M+NH4]+	171.11280	138.2
[M+K]+	192.04214	137.1
[M-H]-	152.07170	131.2
[M+Na-2H]-	174.05365	137.1
[M]+	153.07843	132.3
[M]-	153.07953	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe