CID 57871953

Propargyl-peg3-amine

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

C#CCOCCOCCOCCN

InChI

InChI=1S/C9H17NO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1H,3-10H2

InChIKey

MREICTHRFCQNJR-UHFFFAOYSA-N

Compound name

2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 152
Patents: 187.12085 Da
Monoisotopic Mass: -1.0
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]+	188.12813	141.1
[M+Na]+	210.11007	149.3
[M+NH4]+	205.15467	144.0
[M+K]+	226.08401	141.2
[M-H]-	186.11357	132.2
[M+Na-2H]-	208.09552	140.9
[M]+	187.12030	138.5
[M]-	187.12140	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe