CID 3083601

T0am

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

C1=CC(=CC=C1CCN)OC2=CC=C(C=C2)O

InChI

InChI=1S/C14H15NO2/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14/h1-8,16H,9-10,15H2

InChIKey

OVUVNKDANCKDCK-UHFFFAOYSA-N

Compound name

4-[4-(2-aminoethyl)phenoxy]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 40
References: 286
Patents: 229.11028 Da
Monoisotopic Mass: 2.4
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]+	230.11756	150.8
[M+Na]+	252.09950	157.9
[M-H]-	228.10300	155.9
[M+NH4]+	247.14410	167.6
[M+K]+	268.07344	153.8
[M+H-H2O]+	212.10754	143.5
[M+HCOO]-	274.10848	174.5
[M+CH3COO]-	288.12413	190.1
[M+Na-2H]-	250.08495	156.3
[M]+	229.10973	149.9
[M]-	229.11083	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe