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

literature stripe

Patent stripe

patents stripe