CID 13643664

Ethanol, 2-(2-((1,1-dimethylethyl)amino)ethoxy)-

Structural Information

Molecular Formula

C₈H₁₉NO₂

SMILES

CC(C)(C)NCCOCCO

InChI

InChI=1S/C8H19NO2/c1-8(2,3)9-4-6-11-7-5-10/h9-10H,4-7H2,1-3H3

InChIKey

YDEDDFNFQOPRQJ-UHFFFAOYSA-N

Compound name

2-[2-(tert-butylamino)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 583
Patents: 161.14159 Da
Monoisotopic Mass: -0.1
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]+	162.14887	139.0
[M+Na]+	184.13081	144.6
[M-H]-	160.13431	137.8
[M+NH4]+	179.17541	159.2
[M+K]+	200.10475	144.2
[M+H-H2O]+	144.13885	134.4
[M+HCOO]-	206.13979	160.6
[M+CH3COO]-	220.15544	179.0
[M+Na-2H]-	182.11626	145.4
[M]+	161.14104	140.7
[M]-	161.14214	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe