CID 15250373

120675-12-9

Structural Information

Molecular Formula

C₁₁H₂₀O₈

SMILES

C(COCCOC(=O)CC(=O)OCCOCCO)O

InChI

InChI=1S/C11H20O8/c12-1-3-16-5-7-18-10(14)9-11(15)19-8-6-17-4-2-13/h12-13H,1-9H2

InChIKey

WBNBJGCTJVBFFR-UHFFFAOYSA-N

Compound name

bis[2-(2-hydroxyethoxy)ethyl] propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 280.1158 Da
Monoisotopic Mass: -1.5
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]+	281.12308	162.7
[M+Na]+	303.10502	167.6
[M+NH4]+	298.14962	164.9
[M+K]+	319.07896	165.9
[M-H]-	279.10852	156.7
[M+Na-2H]-	301.09047	160.6
[M]+	280.11525	160.8
[M]-	280.11635	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe