CID 4396106

5038-17-5

Structural Information

Molecular Formula

C₆H₁₅NO₃

SMILES

C(CO)NCCOCCO

InChI

InChI=1S/C6H15NO3/c8-3-1-7-2-5-10-6-4-9/h7-9H,1-6H2

InChIKey

AVUHPLVMRYGTHW-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxyethoxy)ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 149.1052 Da
Monoisotopic Mass: -1.7
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]+	150.11248	132.2
[M+Na]+	172.09442	137.6
[M-H]-	148.09792	129.4
[M+NH4]+	167.13902	151.8
[M+K]+	188.06836	136.8
[M+H-H2O]+	132.10246	127.1
[M+HCOO]-	194.10340	154.7
[M+CH3COO]-	208.11905	172.7
[M+Na-2H]-	170.07987	138.4
[M]+	149.10465	133.1
[M]-	149.10575	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe