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 149.2
[M+Na]+ 255.13555 157.2
[M-H]- 231.13905 152.0
[M+NH4]+ 250.18015 166.9
[M+K]+ 271.10949 155.6
[M+H-H2O]+ 215.14359 147.8
[M+HCOO]- 277.14453 167.7
[M+CH3COO]- 291.16018 188.8
[M+Na-2H]- 253.12100 150.3
[M]+ 232.14578 145.7
[M]- 232.14688 145.7
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.