CID 135397927

8-epi-inunolide

Structural Information

Molecular Formula
C15H20O2
SMILES
C/C/1=C\C[C@H]2[C@H](CC(=CCC1)C)OC(=O)C2=C
InChI
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,13-14H,3-5,8-9H2,1-2H3/b10-7+,11-6?/t13-,14+/m1/s1
InChIKey
BBMLTTOFEBDQIR-LWZCXZALSA-N
Compound name
(3aR,5E,11aS)-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 152.0
[M+Na]+ 255.13555 163.4
[M+NH4]+ 250.18015 159.7
[M+K]+ 271.10949 158.5
[M-H]- 231.13905 155.4
[M+Na-2H]- 253.12100 155.0
[M]+ 232.14578 154.2
[M]- 232.14688 154.2
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.