CID 90039

23243-68-7

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: 5362
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]+	179.055016	134.0
[M+Na]+	201.036958	140.1
[M-H]-	177.040464	131.4
[M+NH4]+	196.081563	152.2
[M+K]+	217.010898	140.7
[M+H-H2O]+	161.045000	129.0
[M+HCOO]-	223.045941	154.6
[M+CH3COO]-	237.061591	174.1
[M+Na-2H]-	199.022406	137.7
[M]+	178.04719142	137.5
[M]-	178.04828858	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe