CID 86580391

1013921-36-2

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: 297
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]+	232.154336	146.6
[M+Na]+	254.136278	153.2
[M-H]-	230.139784	144.8
[M+NH4]+	249.180883	162.0
[M+K]+	270.110218	152.4
[M+H-H2O]+	214.144320	134.4
[M+HCOO]-	276.145261	164.6
[M+CH3COO]-	290.160911	199.6
[M+Na-2H]-	252.121726	150.3
[M]+	231.14651142	147.3
[M]-	231.14760858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe