CID 519782

Davanone

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(C1CCC(O1)(C)C=C)C(=O)CC=C(C)C
InChI
InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3
InChIKey
FJKKZNIYYVEYOL-UHFFFAOYSA-N
Compound name
2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

61
Patents

236.17763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 160.1
[M+Na]+ 259.16685 168.0
[M+NH4]+ 254.21145 167.9
[M+K]+ 275.14079 163.2
[M-H]- 235.17035 160.9
[M+Na-2H]- 257.15230 162.2
[M]+ 236.17708 161.3
[M]- 236.17818 161.3
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

patents stripe