CID 13643664

87787-67-5

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: 492
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	137.4
[M+Na]+	184.13081	145.5
[M+NH4]+	179.17541	144.3
[M+K]+	200.10475	141.1
[M-H]-	160.13431	136.0
[M+Na-2H]-	182.11626	140.1
[M]+	161.14104	137.9
[M]-	161.14214	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe