CID 54684523

40357-87-7

Structural Information

Molecular Formula

SMILES

CN1C=CC(=CC1=O)O

InChI

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

InChIKey

ISFRSMMUUQWJCU-UHFFFAOYSA-N

Compound name

4-hydroxy-1-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 154
Patents: 125.047676 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]+	126.05495	119.5
[M+Na]+	148.03689	130.0
[M-H]-	124.04040	121.5
[M+NH4]+	143.08150	140.4
[M+K]+	164.01083	128.3
[M+H-H2O]+	108.04494	114.2
[M+HCOO]-	170.04588	143.0
[M+CH3COO]-	184.06153	167.7
[M+Na-2H]-	146.02234	127.6
[M]+	125.04713	120.0
[M]-	125.04822	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe