CID 58281034

944561-46-0

Structural Information

Molecular Formula

C₉H₁₄O₅

SMILES

C#CCOCCOCCOCC(=O)O

InChI

InChI=1S/C9H14O5/c1-2-3-12-4-5-13-6-7-14-8-9(10)11/h1H,3-8H2,(H,10,11)

InChIKey

FWONAGPFSKACQC-UHFFFAOYSA-N

Compound name

2-[2-(2-prop-2-ynoxyethoxy)ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 202.08412 Da
Monoisotopic Mass: -0.5
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]+	203.09140	141.2
[M+Na]+	225.07334	149.3
[M+NH4]+	220.11794	143.1
[M+K]+	241.04728	142.5
[M-H]-	201.07684	130.6
[M+Na-2H]-	223.05879	140.0
[M]+	202.08357	138.1
[M]-	202.08467	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe