CID 13919625

Asteriscunolide b

Structural Information

Molecular Formula
C15H18O3
SMILES
C/C/1=C\CCC2=C[C@@H](C(/C=C\C1=O)(C)C)OC2=O
InChI
InChI=1S/C15H18O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h5,7-9,13H,4,6H2,1-3H3/b8-7-,10-5+/t13-/m0/s1
InChIKey
CAHQQYHQUHYOGU-WGGPUXJNSA-N
Compound name
(4E,7Z,10S)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 152.7
[M+Na]+ 269.11482 164.6
[M+NH4]+ 264.15942 161.5
[M+K]+ 285.08876 158.3
[M-H]- 245.11832 155.2
[M+Na-2H]- 267.10027 156.9
[M]+ 246.12505 155.0
[M]- 246.12615 155.0
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.