CID 74427721

Oxysolavetivone

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1CC(=O)C=C(C12CCC(C2)C(=C)C)CO
InChI
InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3
InChIKey
JPVDGXUSNAEUIC-UHFFFAOYSA-N
Compound name
10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

234.16199 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 156.9
[M+Na]+ 257.15121 166.4
[M+NH4]+ 252.19581 166.3
[M+K]+ 273.12515 160.3
[M-H]- 233.15471 158.6
[M+Na-2H]- 255.13666 160.9
[M]+ 234.16144 158.6
[M]- 234.16254 158.6
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