CID 174509

85771-07-9

Structural Information

Molecular Formula

C₅H₁₄N₂O

SMILES

CNCCNCCO

InChI

InChI=1S/C5H14N2O/c1-6-2-3-7-4-5-8/h6-8H,2-5H2,1H3

InChIKey

OVHIPFZQRQQFGQ-UHFFFAOYSA-N

Compound name

2-[2-(methylamino)ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 118.11061 Da
Monoisotopic Mass: -1.3
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]+	119.117886	125.3
[M+Na]+	141.099828	130.7
[M-H]-	117.103334	124.1
[M+NH4]+	136.144433	146.5
[M+K]+	157.073768	130.1
[M+H-H2O]+	101.107870	120.1
[M+HCOO]-	163.108811	150.1
[M+CH3COO]-	177.124461	173.2
[M+Na-2H]-	139.085276	132.7
[M]+	118.11006142	124.0
[M]-	118.11115858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe