CID 68130

3-hydroxy-2h-pyran-2-one

Structural Information

Molecular Formula

C₅H₄O₃

SMILES

C1=COC(=O)C(=C1)O

InChI

InChI=1S/C5H4O3/c6-4-2-1-3-8-5(4)7/h1-3,6H

InChIKey

LIPRKYKMVQPYPG-UHFFFAOYSA-N

Compound name

3-hydroxypyran-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 1047
Patents: 112.016045 Da
Monoisotopic Mass: 0.6
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]+	113.02332	114.9
[M+Na]+	135.00526	128.6
[M+NH4]+	130.04987	123.4
[M+K]+	150.97920	123.8
[M-H]-	111.00877	117.6
[M+Na-2H]-	132.99071	122.1
[M]+	112.01550	117.6
[M]-	112.01659	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe