CID 189661

N-acetoxy-4-aminobiphenyl

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

CC(=O)ONC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO2/c1-11(16)17-15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,1H3

InChIKey

NRUZSSFWZUVQMS-UHFFFAOYSA-N

Compound name

(4-phenylanilino) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 227.09464 Da
Monoisotopic Mass: 3.6
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]+	228.101916	149.6
[M+Na]+	250.083858	156.3
[M-H]-	226.087364	156.4
[M+NH4]+	245.128463	167.1
[M+K]+	266.057798	153.3
[M+H-H2O]+	210.091900	142.0
[M+HCOO]-	272.092841	174.7
[M+CH3COO]-	286.108491	191.4
[M+Na-2H]-	248.069306	156.1
[M]+	227.09409142	149.8
[M]-	227.09518858	149.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.