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
2
Annotation Hits

0
References

23
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 149.3
[M+Na]+ 243.171928 155.5
[M-H]- 219.175434 150.4
[M+NH4]+ 238.216533 165.9
[M+K]+ 259.145868 154.1
[M+H-H2O]+ 203.179970 147.0
[M+HCOO]- 265.180911 168.3
[M+CH3COO]- 279.196561 189.4
[M+Na-2H]- 241.157376 149.3
[M]+ 220.18216142 145.5
[M]- 220.18325858 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.