CID 546919

2-((2-(dimethylamino)ethyl)amino)ethanol

Structural Information

Molecular Formula

C₆H₁₆N₂O

SMILES

CN(C)CCNCCO

InChI

InChI=1S/C6H16N2O/c1-8(2)5-3-7-4-6-9/h7,9H,3-6H2,1-2H3

InChIKey

OOOOBVFKGSBICZ-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 657
Patents: 132.12627 Da
Monoisotopic Mass: -0.8
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]+	133.13355	130.5
[M+Na]+	155.11549	135.7
[M-H]-	131.11899	130.6
[M+NH4]+	150.16009	151.9
[M+K]+	171.08943	136.3
[M+H-H2O]+	115.12353	125.0
[M+HCOO]-	177.12447	155.5
[M+CH3COO]-	191.14012	179.7
[M+Na-2H]-	153.10094	136.6
[M]+	132.12572	130.9
[M]-	132.12682	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe