CID 10341

2(5h)-furanone

Structural Information

Molecular Formula

C₄H₄O₂

SMILES

C1C=CC(=O)O1

InChI

InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2

InChIKey

VIHAEDVKXSOUAT-UHFFFAOYSA-N

Compound name

2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 745
References: 15753
Patents: 84.021126 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]+	85.028402	109.4
[M+Na]+	107.010344	118.1
[M-H]-	83.013850	114.0
[M+NH4]+	102.054949	133.7
[M+K]+	122.984284	119.4
[M+H-H2O]+	67.018386	105.2
[M+HCOO]-	129.019327	134.6
[M+CH3COO]-	143.034977	159.7
[M+Na-2H]-	104.995792	118.2
[M]+	84.02057742	109.5
[M]-	84.02167458	109.5

Literature stripe

literature stripe

Patent stripe

patents stripe