CID 78395

6-hydroxy-4-methylpyridin-2(1h)-one

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)NC(=C1)O

InChI

InChI=1S/C6H7NO2/c1-4-2-5(8)7-6(9)3-4/h2-3H,1H3,(H2,7,8,9)

InChIKey

JJHVYGVVMBYCMQ-UHFFFAOYSA-N

Compound name

6-hydroxy-4-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5774
Patents: 125.047676 Da
Monoisotopic Mass: 0.0
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]+	126.054952	120.6
[M+Na]+	148.036894	130.7
[M-H]-	124.040400	121.2
[M+NH4]+	143.081499	140.7
[M+K]+	164.010834	128.0
[M+H-H2O]+	108.044936	115.5
[M+HCOO]-	170.045877	142.6
[M+CH3COO]-	184.061527	165.1
[M+Na-2H]-	146.022342	128.1
[M]+	125.04712742	119.2
[M]-	125.04822458	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe