CID 15979309

878194-93-5

Structural Information

Molecular Formula

C₁₂H₁₅BN₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)C#N

InChI

InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)9-6-5-7-15-10(9)8-14/h5-7H,1-4H3

InChIKey

CZYZGSPKMBKQBK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 230.12267 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]+	231.12995	144.4
[M+Na]+	253.11189	156.9
[M+NH4]+	248.15649	151.4
[M+K]+	269.08583	147.1
[M-H]-	229.11539	142.0
[M+Na-2H]-	251.09734	150.2
[M]+	230.12212	145.1
[M]-	230.12322	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe