CID 109756

Ethanol, 2-[[2-(2-hydroxyethoxy)ethyl]methylamino]-

Structural Information

Molecular Formula

C₇H₁₇NO₃

SMILES

CN(CCO)CCOCCO

InChI

InChI=1S/C7H17NO3/c1-8(2-4-9)3-6-11-7-5-10/h9-10H,2-7H2,1H3

InChIKey

DHFGYXVVIQTUSZ-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxyethoxy)ethyl-methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 51
Patents: 163.12085 Da
Monoisotopic Mass: -1.3
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]+	164.128126	137.3
[M+Na]+	186.110068	142.4
[M-H]-	162.113574	135.8
[M+NH4]+	181.154673	157.0
[M+K]+	202.084008	142.8
[M+H-H2O]+	146.118110	131.9
[M+HCOO]-	208.119051	159.9
[M+CH3COO]-	222.134701	179.2
[M+Na-2H]-	184.095516	142.1
[M]+	163.12030142	139.8
[M]-	163.12139858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe