CID 66948

Protoanemonin

Structural Information

Molecular Formula

C₅H₄O₂

SMILES

C=C1C=CC(=O)O1

InChI

InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2

InChIKey

RNYZJZKPGHQTJR-UHFFFAOYSA-N

Compound name

5-methylidenefuran-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 65
References: 1950
Patents: 96.021126 Da
Monoisotopic Mass: 0.9
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]+	97.028402	114.6
[M+Na]+	119.01034	126.3
[M+NH4]+	114.05495	123.3
[M+K]+	134.98428	123.0
[M-H]-	95.013850	116.9
[M+Na-2H]-	116.99579	119.8
[M]+	96.020577	116.7
[M]-	96.021675	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe