CID 470972

Dehydrocostus lactone, 10.beta.-epoxide

Structural Information

Molecular Formula
C15H18O3
SMILES
C=C1CC[C@@H]2[C@H]1[C@@H]3[C@@H](CC[C@@]24CO4)C(=C)C(=O)O3
InChI
InChI=1S/C15H18O3/c1-8-3-4-11-12(8)13-10(9(2)14(16)18-13)5-6-15(11)7-17-15/h10-13H,1-7H2/t10-,11+,12-,13-,15+/m0/s1
InChIKey
FOCGTYBIFDOKJS-WHRXGGIHSA-N
Compound name
(3aS,6S,6aR,9aR,9bS)-3,9-dimethylidenespiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-6,2'-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]+ 247.132876 149.9
[M+Na]+ 269.114818 158.1
[M-H]- 245.118324 159.6
[M+NH4]+ 264.159423 166.3
[M+K]+ 285.088758 156.8
[M+H-H2O]+ 229.122860 147.2
[M+HCOO]- 291.123801 163.6
[M+CH3COO]- 305.139451 161.8
[M+Na-2H]- 267.100266 151.8
[M]+ 246.12505142 147.8
[M]- 246.12614858 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.