CID 15451988

2-ethoxy-2-oxoethyl ethyl malonate

Structural Information

Molecular Formula

C₉H₁₄O₆

SMILES

CCOC(=O)CC(=O)OCC(=O)OCC

InChI

InChI=1S/C9H14O6/c1-3-13-7(10)5-8(11)15-6-9(12)14-4-2/h3-6H2,1-2H3

InChIKey

AXFGWDDDEXHZPM-UHFFFAOYSA-N

Compound name

3-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 218.07904 Da
Monoisotopic Mass: 0.8
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]+	219.08632	145.4
[M+Na]+	241.06826	151.6
[M-H]-	217.07176	145.5
[M+NH4]+	236.11286	163.8
[M+K]+	257.04220	153.2
[M+H-H2O]+	201.07630	140.0
[M+HCOO]-	263.07724	167.4
[M+CH3COO]-	277.09289	186.1
[M+Na-2H]-	239.05371	147.6
[M]+	218.07849	152.4
[M]-	218.07959	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe