CID 14117495

121021-24-7

Structural Information

Molecular Formula

C₁₂H₂₃BO₂

SMILES

B(C#CC(C)(C)C)(OC(C)C)OC(C)C

InChI

InChI=1S/C12H23BO2/c1-10(2)14-13(15-11(3)4)9-8-12(5,6)7/h10-11H,1-7H3

InChIKey

FLHZJMZNIOCRSX-UHFFFAOYSA-N

Compound name

3,3-dimethylbut-1-ynyl-di(propan-2-yloxy)borane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
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	147.1
[M+Na]+	233.16833	155.5
[M+NH4]+	228.21293	150.3
[M+K]+	249.14227	149.0
[M-H]-	209.17183	137.6
[M+Na-2H]-	231.15378	146.4
[M]+	210.17856	144.7
[M]-	210.17966	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe