CID 13993176

Vulgarolide

Structural Information

Molecular Formula
C15H20O5
SMILES
CC12CCC(OC1C3C(CCC(=O)C2)C(=C)C(=O)O3)O
InChI
InChI=1S/C15H20O5/c1-8-10-4-3-9(16)7-15(2)6-5-11(17)19-13(15)12(10)20-14(8)18/h10-13,17H,1,3-7H2,2H3
InChIKey
LBKCMFUBEOROEX-UHFFFAOYSA-N
Compound name
14-hydroxy-11-methyl-5-methylidene-3,15-dioxatricyclo[9.4.0.02,6]pentadecane-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.13107 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 176.1
[M+Na]+ 303.12029 178.7
[M+NH4]+ 298.16489 178.5
[M+K]+ 319.09423 177.1
[M-H]- 279.12379 176.7
[M+Na-2H]- 301.10574 175.4
[M]+ 280.13052 176.5
[M]- 280.13162 176.5
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

patents stripe