CID 15568199

Schembl31584385

Structural Information

Molecular Formula

C₁₀H₂₃NO₅

SMILES

C(COCCO)NCCOCCOCCO

InChI

InChI=1S/C10H23NO5/c12-3-7-14-5-1-11-2-6-15-9-10-16-8-4-13/h11-13H,1-10H2

InChIKey

XQIQRZDXRQDJEX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.15762 Da
Monoisotopic Mass: -2.0
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]+	238.164896	154.1
[M+Na]+	260.146838	157.5
[M-H]-	236.150344	150.4
[M+NH4]+	255.191443	169.9
[M+K]+	276.120778	156.8
[M+H-H2O]+	220.154880	147.6
[M+HCOO]-	282.155821	175.6
[M+CH3COO]-	296.171471	189.0
[M+Na-2H]-	258.132286	158.4
[M]+	237.15707142	159.4
[M]-	237.15816858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe