CID 25200393

15-hydroxysolavetivone

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@@H]1CC(=O)C=C([C@]12CC[C@H](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/t11-,12-,15+/m1/s1
InChIKey
JPVDGXUSNAEUIC-JMSVASOKSA-N
Compound name
(3R,5S,6R)-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]+ 235.169266 155.5
[M+Na]+ 257.151208 161.8
[M-H]- 233.154714 159.6
[M+NH4]+ 252.195813 177.2
[M+K]+ 273.125148 158.0
[M+H-H2O]+ 217.159250 151.0
[M+HCOO]- 279.160191 172.8
[M+CH3COO]- 293.175841 190.4
[M+Na-2H]- 255.136656 154.9
[M]+ 234.16144142 151.2
[M]- 234.16253858 151.2
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.