CID 12621265

2,5,8-trioxa-11-azadodecane

Structural Information

Molecular Formula

C₈H₁₉NO₃

SMILES

CNCCOCCOCCOC

InChI

InChI=1S/C8H19NO3/c1-9-3-4-11-7-8-12-6-5-10-2/h9H,3-8H2,1-2H3

InChIKey

XOTTZADIXWMSNG-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 177.13649 Da
Monoisotopic Mass: -0.6
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]+	178.14377	139.7
[M+Na]+	200.12571	148.2
[M+NH4]+	195.17031	146.5
[M+K]+	216.09965	142.7
[M-H]-	176.12921	138.9
[M+Na-2H]-	198.11116	142.7
[M]+	177.13594	140.3
[M]-	177.13704	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe