CID 78024

(p-ammoniophenyl)ethyl(2-hydroxyethyl)ammonium sulphate

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

C1=CC(=CC=C1CCNCCO)N

InChI

InChI=1S/C10H16N2O/c11-10-3-1-9(2-4-10)5-6-12-7-8-13/h1-4,12-13H,5-8,11H2

InChIKey

LHISABQPMWXWCC-UHFFFAOYSA-N

Compound name

2-[2-(4-aminophenyl)ethylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 36
Patents: 180.12627 Da
Monoisotopic Mass: 0.4
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]+	181.133546	139.7
[M+Na]+	203.115488	145.4
[M-H]-	179.118994	141.3
[M+NH4]+	198.160093	158.3
[M+K]+	219.089428	142.4
[M+H-H2O]+	163.123530	133.3
[M+HCOO]-	225.124471	164.0
[M+CH3COO]-	239.140121	184.1
[M+Na-2H]-	201.100936	145.7
[M]+	180.12572142	137.3
[M]-	180.12681858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe