CID 85204671

10alpha-4,5-seco-11-eudesmene-4,5-dione

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=C)C1CCC(C(=O)C1)(C)CCCC(=O)C
InChI
InChI=1S/C15H24O2/c1-11(2)13-7-9-15(4,14(17)10-13)8-5-6-12(3)16/h13H,1,5-10H2,2-4H3
InChIKey
FCPUGTGXHMJFQH-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 155.5
[M+Na]+ 259.166848 160.5
[M-H]- 235.170354 158.2
[M+NH4]+ 254.211453 175.4
[M+K]+ 275.140788 158.3
[M+H-H2O]+ 219.174890 150.8
[M+HCOO]- 281.175831 172.8
[M+CH3COO]- 295.191481 195.6
[M+Na-2H]- 257.152296 155.3
[M]+ 236.17708142 154.0
[M]- 236.17817858 154.0
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.