CID 15098869

58405-00-8

Structural Information

Molecular Formula

C₈H₈ClNO₂

SMILES

CC1=C(C=C(C(=O)N1)Cl)C(=O)C

InChI

InChI=1S/C8H8ClNO2/c1-4-6(5(2)11)3-7(9)8(12)10-4/h3H,1-2H3,(H,10,12)

InChIKey

QLYZDONRCQRJNB-UHFFFAOYSA-N

Compound name

5-acetyl-3-chloro-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.02435 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]+	186.03163	134.2
[M+Na]+	208.01357	148.3
[M+NH4]+	203.05817	141.8
[M+K]+	223.98751	142.5
[M-H]-	184.01707	134.7
[M+Na-2H]-	205.99902	140.1
[M]+	185.02380	136.5
[M]-	185.02490	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.