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 177.7
[M+Na]+ 303.12029 182.5
[M-H]- 279.12379 179.9
[M+NH4]+ 298.16489 185.9
[M+K]+ 319.09423 182.3
[M+H-H2O]+ 263.12833 174.4
[M+HCOO]- 325.12927 182.4
[M+CH3COO]- 339.14492 228.7
[M+Na-2H]- 301.10574 174.8
[M]+ 280.13052 175.9
[M]- 280.13162 175.9
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