CID 10855419

6-hydroxy-2h-pyran-3(6h)-one

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

C1C(=O)C=CC(O1)O

InChI

InChI=1S/C5H6O3/c6-4-1-2-5(7)8-3-4/h1-2,5,7H,3H2

InChIKey

BOABLGZTHBBHPW-UHFFFAOYSA-N

Compound name

2-hydroxy-2H-pyran-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 114.03169 Da
Monoisotopic Mass: -0.5
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]+	115.03897	117.0
[M+Na]+	137.02091	124.8
[M-H]-	113.02441	120.2
[M+NH4]+	132.06551	137.7
[M+K]+	152.99485	125.4
[M+H-H2O]+	97.028950	112.4
[M+HCOO]-	159.02989	138.5
[M+CH3COO]-	173.04554	163.5
[M+Na-2H]-	135.00636	125.3
[M]+	114.03114	115.4
[M]-	114.03224	115.4

Literature stripe

literature stripe

Patent stripe

patents stripe