CID 3293575

5-ethoxy-5h-furan-2-one

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

CCOC1C=CC(=O)O1

InChI

InChI=1S/C6H8O3/c1-2-8-6-4-3-5(7)9-6/h3-4,6H,2H2,1H3

InChIKey

NOZLVOMKFMVAKH-UHFFFAOYSA-N

Compound name

2-ethoxy-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 46
Patents: 128.04735 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]+	129.05463	122.7
[M+Na]+	151.03657	133.7
[M+NH4]+	146.08117	130.9
[M+K]+	167.01051	130.8
[M-H]-	127.04007	124.7
[M+Na-2H]-	149.02202	127.3
[M]+	128.04680	124.6
[M]-	128.04790	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe