CID 4198005

131534-65-1

Structural Information

Molecular Formula

C₈H₁₀BNO₂

SMILES

B1(OCCCO1)C2=CN=CC=C2

InChI

InChI=1S/C8H10BNO2/c1-3-8(7-10-4-1)9-11-5-2-6-12-9/h1,3-4,7H,2,5-6H2

InChIKey

ZUUZNOFTKGDLLN-UHFFFAOYSA-N

Compound name

3-(1,3,2-dioxaborinan-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 716
Patents: 163.08046 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]+	164.08774	132.4
[M+Na]+	186.06968	146.3
[M+NH4]+	181.11428	141.6
[M+K]+	202.04362	140.3
[M-H]-	162.07318	138.9
[M+Na-2H]-	184.05513	140.5
[M]+	163.07991	136.3
[M]-	163.08101	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe