CID 75871

2657-87-6

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

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

InChI

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

InChIKey

ZBMISJGHVWNWTE-UHFFFAOYSA-N

Compound name

3-(4-aminophenoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28402
Patents: 200.09496 Da
Monoisotopic Mass: 2.2
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	142.1
[M+Na]+	223.08418	149.9
[M-H]-	199.08768	148.5
[M+NH4]+	218.12878	160.3
[M+K]+	239.05812	146.1
[M+H-H2O]+	183.09222	134.9
[M+HCOO]-	245.09316	168.3
[M+CH3COO]-	259.10881	188.9
[M+Na-2H]-	221.06963	148.6
[M]+	200.09441	139.4
[M]-	200.09551	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe