CID 16414274

660867-80-1

Structural Information

Molecular Formula

C₁₂H₁₈BNO₂

SMILES

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

InChI

InChI=1S/C12H18BNO2/c1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3

InChIKey

MBTULFIFECUURA-UHFFFAOYSA-N

Compound name

2-methyl-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: 831
Patents: 219.14307 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]+	220.15035	145.6
[M+Na]+	242.13229	159.0
[M+NH4]+	237.17689	156.9
[M+K]+	258.10623	151.7
[M-H]-	218.13579	151.4
[M+Na-2H]-	240.11774	154.3
[M]+	219.14252	149.7
[M]-	219.14362	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe