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]+ 237.18491 155.5
[M+Na]+ 259.16685 160.5
[M-H]- 235.17035 158.2
[M+NH4]+ 254.21145 175.4
[M+K]+ 275.14079 158.3
[M+H-H2O]+ 219.17489 150.8
[M+HCOO]- 281.17583 172.8
[M+CH3COO]- 295.19148 195.6
[M+Na-2H]- 257.15230 155.3
[M]+ 236.17708 154.0
[M]- 236.17818 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.