CID 60146217

Propargyl-peg3-acid

Structural Information

Molecular Formula

C₁₀H₁₆O₅

SMILES

C#CCOCCOCCOCCC(=O)O

InChI

InChI=1S/C10H16O5/c1-2-4-13-6-8-15-9-7-14-5-3-10(11)12/h1H,3-9H2,(H,11,12)

InChIKey

CJNSWLAJTZVSRB-UHFFFAOYSA-N

Compound name

3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 216.09978 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]+	217.10706	145.1
[M+Na]+	239.08900	153.0
[M+NH4]+	234.13360	146.9
[M+K]+	255.06294	146.1
[M-H]-	215.09250	134.5
[M+Na-2H]-	237.07445	143.7
[M]+	216.09923	142.0
[M]-	216.10033	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe