CID 16427142

1003043-55-7

Structural Information

Molecular Formula

C₆H₉BN₂O₃

SMILES

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

InChI

InChI=1S/C6H9BN2O3/c1-2-12-6-8-3-5(4-9-6)7(10)11/h3-4,10-11H,2H2,1H3

InChIKey

VTPBKJXRYUDPAJ-UHFFFAOYSA-N

Compound name

(2-ethoxypyrimidin-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 214
Patents: 168.07062 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]+	169.07790	133.2
[M+Na]+	191.05984	144.6
[M+NH4]+	186.10444	139.5
[M+K]+	207.03378	140.8
[M-H]-	167.06334	132.2
[M+Na-2H]-	189.04529	138.4
[M]+	168.07007	134.2
[M]-	168.07117	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe