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

3
Annotation Hits: 66
References: 2903
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	112.1
[M+Na]+	119.010344	121.6
[M-H]-	95.013850	116.9
[M+NH4]+	114.054949	136.1
[M+K]+	134.984284	122.0
[M+H-H2O]+	79.018386	108.1
[M+HCOO]-	141.019327	137.2
[M+CH3COO]-	155.034977	162.9
[M+Na-2H]-	116.995792	119.7
[M]+	96.02057742	112.3
[M]-	96.02167458	112.3

Literature stripe

literature stripe

Patent stripe

patents stripe