CID 146155409

2204085-69-6

Structural Information

Molecular Formula

C₆H₆ClNO₂

SMILES

CC1=CNC(=O)C(=C1O)Cl

InChI

InChI=1S/C6H6ClNO2/c1-3-2-8-6(10)4(7)5(3)9/h2H,1H3,(H2,8,9,10)

InChIKey

SCJJIYKRFYTMRI-UHFFFAOYSA-N

Compound name

3-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.00871 Da
Monoisotopic Mass: 0.3
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]+	160.01599	126.3
[M+Na]+	181.99793	140.6
[M+NH4]+	177.04253	134.3
[M+K]+	197.97187	134.8
[M-H]-	158.00143	126.8
[M+Na-2H]-	179.98338	132.6
[M]+	159.00816	128.7
[M]-	159.00926	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.