CID 12012237

2-ethoxypyridine-5-boronic acid

Structural Information

Molecular Formula

C₇H₁₀BNO₃

SMILES

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

InChI

InChI=1S/C7H10BNO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3

InChIKey

UONCERAQKBPLML-UHFFFAOYSA-N

Compound name

(6-ethoxypyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2051
Patents: 167.07538 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]+	168.08266	132.4
[M+Na]+	190.06460	140.1
[M-H]-	166.06810	132.3
[M+NH4]+	185.10920	150.4
[M+K]+	206.03854	138.6
[M+H-H2O]+	150.07264	126.4
[M+HCOO]-	212.07358	152.8
[M+CH3COO]-	226.08923	173.2
[M+Na-2H]-	188.05005	138.5
[M]+	167.07483	132.8
[M]-	167.07593	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe