CID 86580391

Propargyl-peg4-amine

Structural Information

Molecular Formula

C₁₁H₂₁NO₄

SMILES

C#CCOCCOCCOCCOCCN

InChI

InChI=1S/C11H21NO4/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1H,3-12H2

InChIKey

QDLPAHLHHBCWOW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 373
Patents: 231.14706 Da
Monoisotopic Mass: -1.2
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]+	232.15434	151.6
[M+Na]+	254.13628	159.0
[M+NH4]+	249.18088	153.7
[M+K]+	270.11022	150.9
[M-H]-	230.13978	142.2
[M+Na-2H]-	252.12173	150.5
[M]+	231.14651	148.7
[M]-	231.14761	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe