CID 54683813

4-hydroxyfuran-2(5h)-one

Structural Information

Molecular Formula

C₄H₄O₃

SMILES

C1C(=CC(=O)O1)O

InChI

InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2

InChIKey

JZQBAGOECGRTSA-UHFFFAOYSA-N

Compound name

3-hydroxy-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5656
Patents: 100.016045 Da
Monoisotopic Mass: -0.4
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]+	101.02332	112.6
[M+Na]+	123.00526	121.7
[M-H]-	99.008769	116.1
[M+NH4]+	118.04987	135.7
[M+K]+	138.97920	122.4
[M+H-H2O]+	83.013305	108.6
[M+HCOO]-	145.01425	136.5
[M+CH3COO]-	159.02990	160.2
[M+Na-2H]-	120.99071	120.2
[M]+	100.01550	112.6
[M]-	100.01659	112.6

Literature stripe

literature stripe

Patent stripe

patents stripe