CID 325065

Fukinanolide

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC1CCCC2C1(CC3(C2)C(=C)COC3=O)C

InChI

InChI=1S/C15H22O2/c1-10-5-4-6-12-7-15(9-14(10,12)3)11(2)8-17-13(15)16/h10,12H,2,4-9H2,1,3H3

InChIKey

OVXAYHNZXBOVPV-UHFFFAOYSA-N

Compound name

7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 53
Patents: 234.16199 Da
Monoisotopic Mass: 3.5
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]+	235.169266	155.0
[M+Na]+	257.151208	162.4
[M-H]-	233.154714	161.7
[M+NH4]+	252.195813	180.6
[M+K]+	273.125148	159.4
[M+H-H2O]+	217.159250	151.3
[M+HCOO]-	279.160191	171.4
[M+CH3COO]-	293.175841	190.5
[M+Na-2H]-	255.136656	156.1
[M]+	234.16144142	150.7
[M]-	234.16253858	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.