CID 12458288

Schembl9828694

Structural Information

Molecular Formula

C₉H₂₁NO₄

SMILES

CN(CCOCCO)CCOCCO

InChI

InChI=1S/C9H21NO4/c1-10(2-6-13-8-4-11)3-7-14-9-5-12/h11-12H,2-9H2,1H3

InChIKey

NCZFAYAZKANRGN-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 207.14706 Da
Monoisotopic Mass: -1.4
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]+	208.15434	147.8
[M+Na]+	230.13628	154.6
[M+NH4]+	225.18088	153.3
[M+K]+	246.11022	150.6
[M-H]-	206.13978	145.6
[M+Na-2H]-	228.12173	148.9
[M]+	207.14651	147.6
[M]-	207.14761	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe