CID 162390

Einecs 254-596-4

Structural Information

Molecular Formula

C₈H₂₁N₃O₂

SMILES

C(CN(CCNCCO)CCO)N

InChI

InChI=1S/C8H21N3O2/c9-1-4-11(6-8-13)5-2-10-3-7-12/h10,12-13H,1-9H2

InChIKey

DGZKNRWILMSAAJ-UHFFFAOYSA-N

Compound name

2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 186
Patents: 191.16338 Da
Monoisotopic Mass: -2.5
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	144.9
[M+Na]+	214.15260	147.8
[M-H]-	190.15610	142.6
[M+NH4]+	209.19720	162.3
[M+K]+	230.12654	147.2
[M+H-H2O]+	174.16064	138.2
[M+HCOO]-	236.16158	168.3
[M+CH3COO]-	250.17723	189.9
[M+Na-2H]-	212.13805	148.6
[M]+	191.16283	143.6
[M]-	191.16393	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe