CID 22639371

85030-56-4

Structural Information

Molecular Formula

C₉H₂₁NO₄

SMILES

COCCOCCOCCOCCN

InChI

InChI=1S/C9H21NO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-10H2,1H3

InChIKey

DQTQYVYXIOQYGN-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 414
Patents: 207.14706 Da
Monoisotopic Mass: -1.3
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]+	208.154336	147.4
[M+Na]+	230.136278	152.3
[M-H]-	206.139784	146.3
[M+NH4]+	225.180883	165.8
[M+K]+	246.110218	152.8
[M+H-H2O]+	190.144320	141.1
[M+HCOO]-	252.145261	171.6
[M+CH3COO]-	266.160911	188.4
[M+Na-2H]-	228.121726	152.1
[M]+	207.14651142	153.8
[M]-	207.14760858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe