CID 470971

Dehydrocostus lactone, 4.alpha.-epoxide

Structural Information

Molecular Formula
C15H18O3
SMILES
C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CC[C@]34CO4)OC(=O)C2=C
InChI
InChI=1S/C15H18O3/c1-8-3-4-11-9(2)14(16)18-13(11)12-10(8)5-6-15(12)7-17-15/h10-13H,1-7H2/t10-,11-,12-,13-,15-/m0/s1
InChIKey
OLYXVBVJXDUYAQ-CXOVXGEYSA-N
Compound name
(3aS,6aR,9R,9aS,9bS)-3,6-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

246.1256 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 149.9
[M+Na]+ 269.11482 158.1
[M-H]- 245.11832 159.6
[M+NH4]+ 264.15942 166.3
[M+K]+ 285.08876 156.8
[M+H-H2O]+ 229.12286 147.2
[M+HCOO]- 291.12380 163.6
[M+CH3COO]- 305.13945 161.8
[M+Na-2H]- 267.10027 151.8
[M]+ 246.12505 147.8
[M]- 246.12615 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.