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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.16927	155.5
[M+Na]+	257.15121	161.8
[M-H]-	233.15471	159.6
[M+NH4]+	252.19581	177.2
[M+K]+	273.12515	158.0
[M+H-H2O]+	217.15925	151.0
[M+HCOO]-	279.16019	172.8
[M+CH3COO]-	293.17584	190.4
[M+Na-2H]-	255.13666	154.9
[M]+	234.16144	151.2
[M]-	234.16254	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe