CID 167270

3,3'-oxydianiline

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

C1=CC(=CC(=C1)OC2=CC=CC(=C2)N)N

InChI

InChI=1S/C12H12N2O/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h1-8H,13-14H2

InChIKey

LXJLFVRAWOOQDR-UHFFFAOYSA-N

Compound name

3-(3-aminophenoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14081
Patents: 200.09496 Da
Monoisotopic Mass: 2.1
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]+	201.10224	143.4
[M+Na]+	223.08418	156.9
[M+NH4]+	218.12878	152.5
[M+K]+	239.05812	149.8
[M-H]-	199.08768	149.4
[M+Na-2H]-	221.06963	153.2
[M]+	200.09441	147.0
[M]-	200.09551	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe