CID 82282

Diethylene glycol succinate

Structural Information

Molecular Formula

C₈H₁₄O₆

SMILES

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

InChI

InChI=1S/C8H14O6/c9-3-4-13-5-6-14-8(12)2-1-7(10)11/h9H,1-6H2,(H,10,11)

InChIKey

SJIWUNNSRFWATG-UHFFFAOYSA-N

Compound name

4-[2-(2-hydroxyethoxy)ethoxy]-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 390
Patents: 206.07904 Da
Monoisotopic Mass: -1.3
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]+	207.08632	144.5
[M+Na]+	229.06826	151.0
[M+NH4]+	224.11286	148.4
[M+K]+	245.04220	148.9
[M-H]-	205.07176	139.8
[M+Na-2H]-	227.05371	144.0
[M]+	206.07849	143.3
[M]-	206.07959	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe