CID 22001174

Resorcinol compound 3

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

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

InChI

InChI=1S/C11H9NO2/c13-9-3-4-10(11(14)6-9)8-2-1-5-12-7-8/h1-7,13-14H

InChIKey

QGIIUQKOKJXLED-UHFFFAOYSA-N

Compound name

4-pyridin-3-ylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 187.06332 Da
Monoisotopic Mass: 1.8
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]+	188.07060	137.7
[M+Na]+	210.05254	146.7
[M-H]-	186.05604	141.1
[M+NH4]+	205.09714	154.8
[M+K]+	226.02648	142.6
[M+H-H2O]+	170.06058	130.8
[M+HCOO]-	232.06152	159.3
[M+CH3COO]-	246.07717	176.9
[M+Na-2H]-	208.03799	145.2
[M]+	187.06277	136.2
[M]-	187.06387	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe