CID 2736209

2,4-dimethoxypyrimidine-5-boronic acid

Structural Information

Molecular Formula

C₆H₉BN₂O₄

SMILES

B(C1=CN=C(N=C1OC)OC)(O)O

InChI

InChI=1S/C6H9BN2O4/c1-12-5-4(7(10)11)3-8-6(9-5)13-2/h3,10-11H,1-2H3

InChIKey

LKGKUACPLXCVOF-UHFFFAOYSA-N

Compound name

(2,4-dimethoxypyrimidin-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 776
Patents: 184.06554 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]+	185.07282	136.2
[M+Na]+	207.05476	147.5
[M+NH4]+	202.09936	141.9
[M+K]+	223.02870	144.5
[M-H]-	183.05826	134.7
[M+Na-2H]-	205.04021	140.7
[M]+	184.06499	137.0
[M]-	184.06609	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe