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: 49
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	138.7
[M+Na]+	210.05254	153.9
[M+NH4]+	205.09714	147.3
[M+K]+	226.02648	147.1
[M-H]-	186.05604	142.2
[M+Na-2H]-	208.03799	148.3
[M]+	187.06277	141.9
[M]-	187.06387	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe