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

4
Annotation Hits: 7
References: 118
Patents: 218.16707 Da
Monoisotopic Mass: 4.0
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]+	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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.