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

5
Annotation Hits: 0
References: 32784
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]+	134.117556	130.1
[M+Na]+	156.099498	135.8
[M-H]-	132.103004	128.9
[M+NH4]+	151.144103	151.1
[M+K]+	172.073438	136.0
[M+H-H2O]+	116.107540	125.2
[M+HCOO]-	178.108481	152.9
[M+CH3COO]-	192.124131	174.1
[M+Na-2H]-	154.084946	135.5
[M]+	133.10973142	130.9
[M]-	133.11082858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe