CID 12255259

2-oxaspiro[4.6]undecane-1,3-dione

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CCCC2(CC1)CC(=O)OC2=O

InChI

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

InChIKey

HGWGHPIQAKFEQG-UHFFFAOYSA-N

Compound name

2-oxaspiro[4.6]undecane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 2.1
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]+	183.101576	134.8
[M+Na]+	205.083518	139.0
[M-H]-	181.087024	141.4
[M+NH4]+	200.128123	155.5
[M+K]+	221.057458	141.3
[M+H-H2O]+	165.091560	130.3
[M+HCOO]-	227.092501	153.2
[M+CH3COO]-	241.108151	179.2
[M+Na-2H]-	203.068966	139.2
[M]+	182.09375142	127.8
[M]-	182.09484858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.