CID 4088708

Methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

COC(=O)C1CC2(CCC1=O)OCCO2

InChI

InChI=1S/C10H14O5/c1-13-9(12)7-6-10(3-2-8(7)11)14-4-5-15-10/h7H,2-6H2,1H3

InChIKey

HDBHPQJOSZBECI-UHFFFAOYSA-N

Compound name

methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 214.08412 Da
Monoisotopic Mass: 0.0
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]+	215.091396	143.4
[M+Na]+	237.073338	149.4
[M-H]-	213.076844	149.9
[M+NH4]+	232.117943	163.1
[M+K]+	253.047278	151.3
[M+H-H2O]+	197.081380	138.9
[M+HCOO]-	259.082321	161.2
[M+CH3COO]-	273.097971	181.9
[M+Na-2H]-	235.058786	148.4
[M]+	214.08357142	142.6
[M]-	214.08466858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe