CID 14927834

159087-43-1

Structural Information

Molecular Formula

C₁₃H₂₁BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C#CC2CCCC2

InChI

InChI=1S/C13H21BO2/c1-12(2)13(3,4)16-14(15-12)10-9-11-7-5-6-8-11/h11H,5-8H2,1-4H3

InChIKey

TUUSACNRPVJDFA-UHFFFAOYSA-N

Compound name

2-(2-cyclopentylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.16347 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]+	221.17075	143.8
[M+Na]+	243.15269	154.6
[M-H]-	219.15619	149.6
[M+NH4]+	238.19729	165.1
[M+K]+	259.12663	150.3
[M+H-H2O]+	203.16073	134.3
[M+HCOO]-	265.16167	157.9
[M+CH3COO]-	279.17732	193.6
[M+Na-2H]-	241.13814	146.7
[M]+	220.16292	138.6
[M]-	220.16402	138.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.