CID 108584

54384-48-4

Structural Information

Molecular Formula

C₁₂H₂₇NO₆

SMILES

C(COCCO)N(CCOCCO)CCOCCO

InChI

InChI=1S/C12H27NO6/c14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16/h14-16H,1-12H2

InChIKey

JUDCDFBFKBQQMA-UHFFFAOYSA-N

Compound name

2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 411
Patents: 281.18384 Da
Monoisotopic Mass: -2.2
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]+	282.19112	166.5
[M+Na]+	304.17306	171.2
[M+NH4]+	299.21766	169.9
[M+K]+	320.14700	167.9
[M-H]-	280.17656	162.6
[M+Na-2H]-	302.15851	165.4
[M]+	281.18329	165.3
[M]-	281.18439	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe