CID 11309733

2-ethoxypyridine-3-boronic acid

Structural Information

Molecular Formula

C₇H₁₀BNO₃

SMILES

B(C1=C(N=CC=C1)OCC)(O)O

InChI

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

InChIKey

FXUMKSCYKPOZOO-UHFFFAOYSA-N

Compound name

(2-ethoxypyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 321
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	133.2
[M+Na]+	190.06460	144.7
[M+NH4]+	185.10920	140.2
[M+K]+	206.03854	140.4
[M-H]-	166.06810	133.0
[M+Na-2H]-	188.05005	138.6
[M]+	167.07483	134.5
[M]-	167.07593	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe