CID 42608179

(+)-3,7(11)-acoradiene

Structural Information

Molecular Formula
C15H22O
SMILES
C[C@@H]1CCC(=C(C)C)[C@]12CC=C(C(=O)C2)C
InChI
InChI=1S/C15H22O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m1/s1
InChIKey
GCGYSSVLNKVBEK-DOMZBBRYSA-N
Compound name
(1R,5S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-7-en-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 151.4
[M+Na]+ 241.15629 158.4
[M-H]- 217.15979 157.0
[M+NH4]+ 236.20089 174.6
[M+K]+ 257.13023 154.9
[M+H-H2O]+ 201.16433 146.8
[M+HCOO]- 263.16527 170.1
[M+CH3COO]- 277.18092 190.2
[M+Na-2H]- 239.14174 151.2
[M]+ 218.16652 147.4
[M]- 218.16762 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.