CID 22396308

851524-96-4

Structural Information

Molecular Formula

C₅H₇BN₂O₂

SMILES

B(C1=CN=C(C=C1)N)(O)O

InChI

InChI=1S/C5H7BN2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H,(H2,7,8)

InChIKey

NPJBPJIQMCHZLJ-UHFFFAOYSA-N

Compound name

(6-amino-3-pyridinyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 657
Patents: 138.06006 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]+	139.067336	124.9
[M+Na]+	161.049278	132.6
[M-H]-	137.052784	124.6
[M+NH4]+	156.093883	143.5
[M+K]+	177.023218	130.7
[M+H-H2O]+	121.057320	119.0
[M+HCOO]-	183.058261	146.1
[M+CH3COO]-	197.073911	169.4
[M+Na-2H]-	159.034726	131.2
[M]+	138.05951142	121.3
[M]-	138.06060858	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe