CID 86136131

Ns00095419

Structural Information

Molecular Formula

C₈H₁₉NO₄

SMILES

C(CO)NCCOCCOCCO

InChI

InChI=1S/C8H19NO4/c10-3-1-9-2-5-12-7-8-13-6-4-11/h9-11H,1-8H2

InChIKey

HVXWKUZPLLCYDJ-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.13141 Da
Monoisotopic Mass: -1.9
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	143.3
[M+Na]+	216.120628	147.7
[M-H]-	192.124134	140.1
[M+NH4]+	211.165233	161.0
[M+K]+	232.094568	146.9
[M+H-H2O]+	176.128670	137.5
[M+HCOO]-	238.129611	165.3
[M+CH3COO]-	252.145261	180.9
[M+Na-2H]-	214.106076	148.6
[M]+	193.13086142	146.5
[M]-	193.13195858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.