CID 66680003

3-oxaspiro[5.5]undecane-8,10-dione

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1COCCC12CC(=O)CC(=O)C2

InChI

InChI=1S/C10H14O3/c11-8-5-9(12)7-10(6-8)1-3-13-4-2-10/h1-7H2

InChIKey

OUGJIWKLAIOBCQ-UHFFFAOYSA-N

Compound name

3-oxaspiro[5.5]undecane-8,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 182.0943 Da
Monoisotopic Mass: 0.1
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]+	183.10158	137.4
[M+Na]+	205.08352	142.7
[M-H]-	181.08702	142.9
[M+NH4]+	200.12812	157.9
[M+K]+	221.05746	142.5
[M+H-H2O]+	165.09156	131.8
[M+HCOO]-	227.09250	154.6
[M+CH3COO]-	241.10815	177.6
[M+Na-2H]-	203.06897	143.7
[M]+	182.09375	131.5
[M]-	182.09485	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe