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]+ 219.174346 151.4
[M+Na]+ 241.156288 158.4
[M-H]- 217.159794 157.0
[M+NH4]+ 236.200893 174.6
[M+K]+ 257.130228 154.9
[M+H-H2O]+ 201.164330 146.8
[M+HCOO]- 263.165271 170.1
[M+CH3COO]- 277.180921 190.2
[M+Na-2H]- 239.141736 151.2
[M]+ 218.16652142 147.4
[M]- 218.16761858 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.