CID 415283

2-({3-[(2-hydroxyethyl)amino]propyl}amino)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₈N₂O₂

SMILES

C(CNCCO)CNCCO

InChI

InChI=1S/C7H18N2O2/c10-6-4-8-2-1-3-9-5-7-11/h8-11H,1-7H2

InChIKey

XDSBMMZQOKZFQI-UHFFFAOYSA-N

Compound name

2-[3-(2-hydroxyethylamino)propylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
Patents: 162.13683 Da
Monoisotopic Mass: -1.5
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]+	163.144106	136.9
[M+Na]+	185.126048	141.0
[M-H]-	161.129554	133.9
[M+NH4]+	180.170653	155.6
[M+K]+	201.099988	139.4
[M+H-H2O]+	145.134090	131.2
[M+HCOO]-	207.135031	159.8
[M+CH3COO]-	221.150681	178.8
[M+Na-2H]-	183.111496	142.8
[M]+	162.13628142	135.9
[M]-	162.13737858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe