CID 90039

3,6-dioxaoctanedioic acid

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

C(COCC(=O)O)OCC(=O)O

InChI

InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

InChIKey

CQWXKASOCUAEOW-UHFFFAOYSA-N

Compound name

2-[2-(carboxymethoxy)ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5058
Patents: 178.04774 Da
Monoisotopic Mass: -0.9
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]+	179.05502	135.6
[M+Na]+	201.03696	142.6
[M+NH4]+	196.08156	139.9
[M+K]+	217.01090	140.9
[M-H]-	177.04046	131.0
[M+Na-2H]-	199.02241	135.7
[M]+	178.04719	134.6
[M]-	178.04829	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe