CID 157706

80904-75-2

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

C1C(=CC(=O)O1)CO

InChI

InChI=1S/C5H6O3/c6-2-4-1-5(7)8-3-4/h1,6H,2-3H2

InChIKey

CHSMEYAHRFTDFX-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 65
Patents: 114.03169 Da
Monoisotopic Mass: -1.1
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	118.8
[M+Na]+	137.02091	129.4
[M+NH4]+	132.06551	126.8
[M+K]+	152.99485	127.1
[M-H]-	113.02441	120.2
[M+Na-2H]-	135.00636	123.0
[M]+	114.03114	120.4
[M]-	114.03224	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe