CID 142509172

(8-cyanoquinolin-6-yl)boronic acid

Structural Information

Molecular Formula

C₁₀H₇BN₂O₂

SMILES

B(C1=CC2=C(C(=C1)C#N)N=CC=C2)(O)O

InChI

InChI=1S/C10H7BN2O2/c12-6-8-5-9(11(14)15)4-7-2-1-3-13-10(7)8/h1-5,14-15H

InChIKey

GMAREFUZPIOMSY-UHFFFAOYSA-N

Compound name

(8-cyanoquinolin-6-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 198.06006 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]+	199.06734	143.9
[M+Na]+	221.04928	156.6
[M+NH4]+	216.09388	148.4
[M+K]+	237.02322	147.7
[M-H]-	197.05278	137.9
[M+Na-2H]-	219.03473	147.3
[M]+	198.05951	143.1
[M]-	198.06061	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe