CID 65069

4-(2-pyridylazo)resorcinol

Structural Information

Molecular Formula

C₁₁H₉N₃O₂

SMILES

C1=CC=NC(=C1)N=NC2=C(C=C(C=C2)O)O

InChI

InChI=1S/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,15-16H

InChIKey

RJNYNDHYSJRRDW-UHFFFAOYSA-N

Compound name

4-(pyridin-2-yldiazenyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2569
References: 1891
Patents: 215.06947 Da
Monoisotopic Mass: 2.3
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]+	216.076746	143.5
[M+Na]+	238.058688	151.8
[M-H]-	214.062194	149.6
[M+NH4]+	233.103293	160.1
[M+K]+	254.032628	148.8
[M+H-H2O]+	198.066730	135.1
[M+HCOO]-	260.067671	170.3
[M+CH3COO]-	274.083321	190.4
[M+Na-2H]-	236.044136	152.8
[M]+	215.06892142	143.5
[M]-	215.07001858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe