CID 365804

2-oxaspiro[4.4]nonane-1,6-dione

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

C1CC(=O)C2(C1)CCOC2=O

InChI

InChI=1S/C8H10O3/c9-6-2-1-3-8(6)4-5-11-7(8)10/h1-5H2

InChIKey

OYVIKLVSKVFHHX-UHFFFAOYSA-N

Compound name

2-oxaspiro[4.4]nonane-1,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.06299 Da
Monoisotopic Mass: 0.5
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]+	155.07027	129.8
[M+Na]+	177.05221	137.7
[M-H]-	153.05571	136.2
[M+NH4]+	172.09681	155.1
[M+K]+	193.02615	137.6
[M+H-H2O]+	137.06025	126.2
[M+HCOO]-	199.06119	151.9
[M+CH3COO]-	213.07684	171.1
[M+Na-2H]-	175.03766	134.4
[M]+	154.06244	127.5
[M]-	154.06354	127.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.