CID 87790

18790-97-1

Structural Information

Molecular Formula

C₁₂H₁₉NO₄

SMILES

C1=CC(=CC=C1N)OCCOCCOCCO

InChI

InChI=1S/C12H19NO4/c13-11-1-3-12(4-2-11)17-10-9-16-8-7-15-6-5-14/h1-4,14H,5-10,13H2

InChIKey

LQGLNHNBYCRXIT-UHFFFAOYSA-N

Compound name

2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 241.13141 Da
Monoisotopic Mass: -0.3
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]+	242.13869	154.6
[M+Na]+	264.12063	164.3
[M+NH4]+	259.16523	161.0
[M+K]+	280.09457	158.7
[M-H]-	240.12413	155.4
[M+Na-2H]-	262.10608	159.1
[M]+	241.13086	155.9
[M]-	241.13196	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe