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

2883
Patents

96.021126 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.028402 112.1
[M+Na]+ 119.01034 121.6
[M-H]- 95.013850 116.9
[M+NH4]+ 114.05495 136.1
[M+K]+ 134.98428 122.0
[M+H-H2O]+ 79.018386 108.1
[M+HCOO]- 141.01933 137.2
[M+CH3COO]- 155.03498 162.9
[M+Na-2H]- 116.99579 119.7
[M]+ 96.020577 112.3
[M]- 96.021675 112.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.