CID 4831594

Spiro[4.5]decane-7,9-dione

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1CCC2(C1)CC(=O)CC(=O)C2

InChI

InChI=1S/C10H14O2/c11-8-5-9(12)7-10(6-8)3-1-2-4-10/h1-7H2

InChIKey

OSKDRFHEYJSVBB-UHFFFAOYSA-N

Compound name

spiro[4.5]decane-7,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 60
Patents: 166.09938 Da
Monoisotopic Mass: 1.7
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]+	167.10666	136.2
[M+Na]+	189.08860	142.4
[M-H]-	165.09210	141.3
[M+NH4]+	184.13320	160.6
[M+K]+	205.06254	140.4
[M+H-H2O]+	149.09664	131.3
[M+HCOO]-	211.09758	156.2
[M+CH3COO]-	225.11323	175.0
[M+Na-2H]-	187.07405	139.9
[M]+	166.09883	130.3
[M]-	166.09993	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe