CID 16070

2-[bis(2-aminoethyl)amino]ethanol

Structural Information

Molecular Formula

C₆H₁₇N₃O

SMILES

C(CN(CCN)CCO)N

InChI

InChI=1S/C6H17N3O/c7-1-3-9(4-2-8)5-6-10/h10H,1-8H2

InChIKey

WUXYGKZSOBYDPP-UHFFFAOYSA-N

Compound name

2-[bis(2-aminoethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 484
Patents: 147.13716 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]+	148.14444	133.7
[M+Na]+	170.12638	138.1
[M-H]-	146.12988	132.7
[M+NH4]+	165.17098	153.5
[M+K]+	186.10032	137.9
[M+H-H2O]+	130.13442	127.6
[M+HCOO]-	192.13536	158.4
[M+CH3COO]-	206.15101	183.5
[M+Na-2H]-	168.11183	137.9
[M]+	147.13661	131.2
[M]-	147.13771	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe