CID 442399

Solavetivone

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

7
References

118
Patents

218.16707 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 151.2
[M+Na]+ 241.156288 158.1
[M-H]- 217.159794 156.8
[M+NH4]+ 236.200893 174.3
[M+K]+ 257.130228 154.6
[M+H-H2O]+ 201.164330 146.5
[M+HCOO]- 263.165271 169.8
[M+CH3COO]- 277.180921 190.9
[M+Na-2H]- 239.141736 151.0
[M]+ 218.16652142 147.3
[M]- 218.16761858 147.3
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