CID 78235

4484-60-0

Structural Information

Molecular Formula

C₈H₂₁N₃O₂

SMILES

C(CNCCO)NCCNCCO

InChI

InChI=1S/C8H21N3O2/c12-7-5-10-3-1-9-2-4-11-6-8-13/h9-13H,1-8H2

InChIKey

UIVFIHRGZKHWHB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 191.16338 Da
Monoisotopic Mass: -2.3
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]+	192.17066	144.0
[M+Na]+	214.15260	149.1
[M+NH4]+	209.19720	149.4
[M+K]+	230.12654	144.7
[M-H]-	190.15610	143.0
[M+Na-2H]-	212.13805	145.4
[M]+	191.16283	143.7
[M]-	191.16393	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe