CID 2734368

163105-89-3

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H8BNO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3

InChIKey

DHADXDMPEUWEAS-UHFFFAOYSA-N

Compound name

(6-methoxypyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 4608
Patents: 153.05972 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]+	154.06700	128.7
[M+Na]+	176.04894	140.4
[M+NH4]+	171.09354	135.9
[M+K]+	192.02288	136.3
[M-H]-	152.05244	128.6
[M+Na-2H]-	174.03439	134.4
[M]+	153.05917	130.1
[M]-	153.06027	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe