CID 45786043

(2-ethylpyridin-4-yl)boronic acid pinacol ester

Structural Information

Molecular Formula

C₁₃H₂₀BNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)CC

InChI

InChI=1S/C13H20BNO2/c1-6-11-9-10(7-8-15-11)14-16-12(2,3)13(4,5)17-14/h7-9H,6H2,1-5H3

InChIKey

YYJPHWDHDLLAJH-UHFFFAOYSA-N

Compound name

2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 233.1587 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]+	234.165976	148.1
[M+Na]+	256.147918	157.7
[M-H]-	232.151424	155.5
[M+NH4]+	251.192523	168.5
[M+K]+	272.121858	157.9
[M+H-H2O]+	216.155960	142.8
[M+HCOO]-	278.156901	168.0
[M+CH3COO]-	292.172551	191.5
[M+Na-2H]-	254.133366	154.2
[M]+	233.15815142	151.7
[M]-	233.15924858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe