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

2
Annotation Hits: 0
References: 31
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	160.9
[M+Na]+	303.10502	164.7
[M-H]-	279.10852	157.3
[M+NH4]+	298.14962	174.9
[M+K]+	319.07896	165.4
[M+H-H2O]+	263.11306	154.4
[M+HCOO]-	325.11400	180.2
[M+CH3COO]-	339.12965	192.0
[M+Na-2H]-	301.09047	162.3
[M]+	280.11525	169.0
[M]-	280.11635	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe