CID 2794717

3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine

Structural Information

Molecular Formula

C₁₀H₁₄BNO₂

SMILES

B1(OCC(CO1)(C)C)C2=CN=CC=C2

InChI

InChI=1S/C10H14BNO2/c1-10(2)7-13-11(14-8-10)9-4-3-5-12-6-9/h3-6H,7-8H2,1-2H3

InChIKey

QMEKTOQBDDVVBE-UHFFFAOYSA-N

Compound name

3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 191.11176 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]+	192.11904	139.8
[M+Na]+	214.10098	146.8
[M-H]-	190.10448	146.2
[M+NH4]+	209.14558	157.2
[M+K]+	230.07492	147.7
[M+H-H2O]+	174.10902	132.6
[M+HCOO]-	236.10996	158.3
[M+CH3COO]-	250.12561	180.9
[M+Na-2H]-	212.08643	148.7
[M]+	191.11121	138.8
[M]-	191.11231	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe