CID 21156069

72252-46-1

Structural Information

Molecular Formula

C₁₀H₁₄O₅

SMILES

CCOC(=O)CCC(=O)C1CC(=O)OC1

InChI

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

InChIKey

JSSPTTVDXUEFBG-UHFFFAOYSA-N

Compound name

ethyl 4-oxo-4-(5-oxooxolan-3-yl)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.08412 Da
Monoisotopic Mass: -0.4
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	145.7
[M+Na]+	237.073338	151.7
[M-H]-	213.076844	149.4
[M+NH4]+	232.117943	164.5
[M+K]+	253.047278	152.6
[M+H-H2O]+	197.081380	140.5
[M+HCOO]-	259.082321	166.5
[M+CH3COO]-	273.097971	185.0
[M+Na-2H]-	235.058786	147.3
[M]+	214.08357142	148.6
[M]-	214.08466858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.