CID 3668596

87100-15-0

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: 45
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]+	211.18639	147.8
[M+Na]+	233.16833	158.1
[M+NH4]+	228.21293	159.6
[M+K]+	249.14227	150.8
[M-H]-	209.17183	153.7
[M+Na-2H]-	231.15378	154.3
[M]+	210.17856	151.2
[M]-	210.17966	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe