CID 10987478

159087-40-8

Structural Information

Molecular Formula

C₁₂H₂₁BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C#CCCCC

InChI

InChI=1S/C12H21BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-8H2,1-5H3

InChIKey

RYRRXQHUSGAWQX-UHFFFAOYSA-N

Compound name

2-hex-1-ynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 208.16347 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]+	209.17075	137.8
[M+Na]+	231.15269	148.9
[M-H]-	207.15619	141.5
[M+NH4]+	226.19729	158.4
[M+K]+	247.12663	146.6
[M+H-H2O]+	191.16073	128.6
[M+HCOO]-	253.16167	152.8
[M+CH3COO]-	267.17732	193.9
[M+Na-2H]-	229.13814	143.5
[M]+	208.16292	136.5
[M]-	208.16402	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe