CID 441379

2'-aminobiphenyl-2,3-diol

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

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

InChI

InChI=1S/C12H11NO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H,13H2

InChIKey

WPDDFIBFWKUENN-UHFFFAOYSA-N

Compound name

3-(2-aminophenyl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 8
Patents: 201.07898 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]+	202.08626	142.9
[M+Na]+	224.06820	156.9
[M+NH4]+	219.11280	151.4
[M+K]+	240.04214	150.4
[M-H]-	200.07170	147.4
[M+Na-2H]-	222.05365	151.6
[M]+	201.07843	146.1
[M]-	201.07953	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe