CID 98934

Epiacorone

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC1CCC2(CC1=O)C(CC(=O)C2C(C)C)C

InChI

InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3

InChIKey

AGUISGUERLMHFF-UHFFFAOYSA-N

Compound name

1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 236.17763 Da
Monoisotopic Mass: 2.9
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]+	237.18491	154.9
[M+Na]+	259.16685	161.6
[M-H]-	235.17035	160.4
[M+NH4]+	254.21145	177.4
[M+K]+	275.14079	158.8
[M+H-H2O]+	219.17489	150.6
[M+HCOO]-	281.17583	172.2
[M+CH3COO]-	295.19148	194.6
[M+Na-2H]-	257.15230	153.3
[M]+	236.17708	151.4
[M]-	236.17818	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe