CID 8769

N-ethyldiethanolamine

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CCN(CCO)CCO

InChI

InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3

InChIKey

AKNUHUCEWALCOI-UHFFFAOYSA-N

Compound name

2-[ethyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 29197
Patents: 133.11028 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]+	134.11756	128.8
[M+Na]+	156.09950	137.2
[M+NH4]+	151.14410	136.0
[M+K]+	172.07344	132.8
[M-H]-	132.10300	127.8
[M+Na-2H]-	154.08495	131.7
[M]+	133.10973	129.3
[M]-	133.11083	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe