CID 24976912

Bacchascandone

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C/CC/C(=C\C(=O)C(CC1)C(C)C)/C
InChI
InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14H,5,7-9H2,1-4H3/b12-6-,13-10-
InChIKey
RESNWHKKMVJDFA-HVZNDUSUSA-N
Compound name
(2Z,6Z)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 149.3
[M+Na]+ 243.17193 155.5
[M-H]- 219.17543 150.4
[M+NH4]+ 238.21653 165.9
[M+K]+ 259.14587 154.1
[M+H-H2O]+ 203.17997 147.0
[M+HCOO]- 265.18091 168.3
[M+CH3COO]- 279.19656 189.4
[M+Na-2H]- 241.15738 149.3
[M]+ 220.18216 145.5
[M]- 220.18326 145.5
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.