CID 5086298

Diethoxyethyl succinate

Structural Information

Molecular Formula

C₁₂H₂₂O₆

SMILES

CCOCCOC(=O)CCC(=O)OCCOCC

InChI

InChI=1S/C12H22O6/c1-3-15-7-9-17-11(13)5-6-12(14)18-10-8-16-4-2/h3-10H2,1-2H3

InChIKey

SWQUTKGVXGTROS-UHFFFAOYSA-N

Compound name

bis(2-ethoxyethyl) butanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1279
Patents: 262.14163 Da
Monoisotopic Mass: 0.3
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]+	263.148906	160.8
[M+Na]+	285.130848	165.6
[M-H]-	261.134354	160.1
[M+NH4]+	280.175453	177.4
[M+K]+	301.104788	166.5
[M+H-H2O]+	245.138890	154.5
[M+HCOO]-	307.139831	182.5
[M+CH3COO]-	321.155481	195.7
[M+Na-2H]-	283.116296	162.5
[M]+	262.14108142	170.3
[M]-	262.14217858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe