CID 2759572

130611-26-6

Structural Information

Molecular Formula

C₉H₁₆O₅

SMILES

CCOC(=O)CC(=O)COCCOC

InChI

InChI=1S/C9H16O5/c1-3-14-9(11)6-8(10)7-13-5-4-12-2/h3-7H2,1-2H3

InChIKey

SYFJNNYHOIAJFL-UHFFFAOYSA-N

Compound name

ethyl 4-(2-methoxyethoxy)-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 204.09978 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]+	205.107056	144.4
[M+Na]+	227.088998	150.4
[M-H]-	203.092504	144.3
[M+NH4]+	222.133603	163.3
[M+K]+	243.062938	151.6
[M+H-H2O]+	187.097040	138.9
[M+HCOO]-	249.097981	166.9
[M+CH3COO]-	263.113631	185.4
[M+Na-2H]-	225.074446	147.6
[M]+	204.09923142	151.4
[M]-	204.10032858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe