CID 4189285

3-(2-phenoxyethoxy)aniline

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)N

InChI

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

InChIKey

CNHROMZTZVDFGK-UHFFFAOYSA-N

Compound name

3-(2-phenoxyethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 229.11028 Da
Monoisotopic Mass: 3.1
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]+	230.117556	150.5
[M+Na]+	252.099498	157.1
[M-H]-	228.103004	156.5
[M+NH4]+	247.144103	167.6
[M+K]+	268.073438	153.8
[M+H-H2O]+	212.107540	142.6
[M+HCOO]-	274.108481	175.7
[M+CH3COO]-	288.124131	191.5
[M+Na-2H]-	250.084946	157.2
[M]+	229.10973142	151.0
[M]-	229.11082858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe