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]+ 233.153606 149.2
[M+Na]+ 255.135548 157.2
[M-H]- 231.139054 152.0
[M+NH4]+ 250.180153 166.9
[M+K]+ 271.109488 155.6
[M+H-H2O]+ 215.143590 147.8
[M+HCOO]- 277.144531 167.7
[M+CH3COO]- 291.160181 188.8
[M+Na-2H]- 253.120996 150.3
[M]+ 232.14578142 145.7
[M]- 232.14687858 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.