CID 50988953

2-(2-{[2-(dimethylamino)ethyl]amino}ethoxy)ethan-1-ol

Structural Information

Molecular Formula

C₈H₂₀N₂O₂

SMILES

CN(C)CCNCCOCCO

InChI

InChI=1S/C8H20N2O2/c1-10(2)5-3-9-4-7-12-8-6-11/h9,11H,3-8H2,1-2H3

InChIKey

PFPBTTMAWYSVKJ-UHFFFAOYSA-N

Compound name

2-[2-[2-(dimethylamino)ethylamino]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 176.15248 Da
Monoisotopic Mass: -1.0
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]+	177.15976	142.2
[M+Na]+	199.14170	146.4
[M-H]-	175.14520	141.9
[M+NH4]+	194.18630	161.7
[M+K]+	215.11564	147.0
[M+H-H2O]+	159.14974	136.0
[M+HCOO]-	221.15068	166.8
[M+CH3COO]-	235.16633	187.8
[M+Na-2H]-	197.12715	147.2
[M]+	176.15193	144.7
[M]-	176.15303	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe