CID 57416496

[3,3'-bipyridin]-5-ylboronic acid

Structural Information

Molecular Formula

C₁₀H₉BN₂O₂

SMILES

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

InChI

InChI=1S/C10H9BN2O2/c14-11(15)10-4-9(6-13-7-10)8-2-1-3-12-5-8/h1-7,14-15H

InChIKey

LXGBPPKUYVHJFF-UHFFFAOYSA-N

Compound name

(5-pyridin-3-ylpyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 200.07571 Da
Monoisotopic Mass: None
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]+	201.08299	140.8
[M+Na]+	223.06493	148.5
[M-H]-	199.06843	142.4
[M+NH4]+	218.10953	155.6
[M+K]+	239.03887	144.7
[M+H-H2O]+	183.07297	132.7
[M+HCOO]-	245.07391	160.1
[M+CH3COO]-	259.08956	178.8
[M+Na-2H]-	221.05038	148.0
[M]+	200.07516	138.7
[M]-	200.07626	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe