CID 49760401

2,3-dimethoxypyridine-4-boronic acid

Structural Information

Molecular Formula

C₇H₁₀BNO₄

SMILES

B(C1=C(C(=NC=C1)OC)OC)(O)O

InChI

InChI=1S/C7H10BNO4/c1-12-6-5(8(10)11)3-4-9-7(6)13-2/h3-4,10-11H,1-2H3

InChIKey

OTOWSMDVBDBKAX-UHFFFAOYSA-N

Compound name

(2,3-dimethoxypyridin-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 183.07028 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]+	184.07756	136.0
[M+Na]+	206.05950	147.4
[M+NH4]+	201.10410	142.4
[M+K]+	222.03344	143.8
[M-H]-	182.06300	135.4
[M+Na-2H]-	204.04495	140.7
[M]+	183.06973	137.2
[M]-	183.07083	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe