CID 160103

86770-74-3

Structural Information

Molecular Formula

C₈H₁₉NO₄

SMILES

C(COCCOCCOCCO)N

InChI

InChI=1S/C8H19NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-9H2

InChIKey

ANOJXMUSDYSKET-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 673
Patents: 193.13141 Da
Monoisotopic Mass: -1.8
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]+	194.138686	143.2
[M+Na]+	216.120628	148.1
[M-H]-	192.124134	140.9
[M+NH4]+	211.165233	161.4
[M+K]+	232.094568	147.9
[M+H-H2O]+	176.128670	137.3
[M+HCOO]-	238.129611	166.2
[M+CH3COO]-	252.145261	182.8
[M+Na-2H]-	214.106076	147.9
[M]+	193.13086142	147.3
[M]-	193.13195858	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe