CID 85241

16024-58-1

Structural Information

Molecular Formula

C₇H₁₄O₅

SMILES

COCCOCCOCC(=O)O

InChI

InChI=1S/C7H14O5/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H,8,9)

InChIKey

YHBWXWLDOKIVCJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4853
Patents: 178.08412 Da
Monoisotopic Mass: -0.6
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]+	179.09140	137.3
[M+Na]+	201.07334	145.4
[M+NH4]+	196.11794	142.8
[M+K]+	217.04728	141.9
[M-H]-	177.07684	134.2
[M+Na-2H]-	199.05879	138.8
[M]+	178.08357	137.1
[M]-	178.08467	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe