CID 19399

5-ethylidene-2(5h)-furanone

Structural Information

Molecular Formula

C₆H₆O₂

SMILES

CC=C1C=CC(=O)O1

InChI

InChI=1S/C6H6O2/c1-2-5-3-4-6(7)8-5/h2-4H,1H3

InChIKey

UBTPQJCPHOHKMF-UHFFFAOYSA-N

Compound name

5-ethylidenefuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 110.03678 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]+	111.044056	117.1
[M+Na]+	133.025998	126.3
[M-H]-	109.029504	121.8
[M+NH4]+	128.070603	140.6
[M+K]+	148.999938	126.4
[M+H-H2O]+	93.034040	112.9
[M+HCOO]-	155.034981	141.9
[M+CH3COO]-	169.050631	165.3
[M+Na-2H]-	131.011446	124.1
[M]+	110.03623142	117.6
[M]-	110.03732858	117.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.