CID 3668596

Cyclohexylboronic acid, pinacol ester

Structural Information

Molecular Formula

C₁₂H₂₃BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2CCCCC2

InChI

InChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3

InChIKey

OUEVCDGYTKLNMJ-UHFFFAOYSA-N

Compound name

2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 210.17911 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]+	211.186386	145.9
[M+Na]+	233.168328	151.8
[M-H]-	209.171834	153.3
[M+NH4]+	228.212933	168.0
[M+K]+	249.142268	152.8
[M+H-H2O]+	193.176370	141.7
[M+HCOO]-	255.177311	162.8
[M+CH3COO]-	269.192961	185.9
[M+Na-2H]-	231.153776	150.4
[M]+	210.17856142	143.8
[M]-	210.17965858	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe