CID 236543

Vinylboronic acid dibutyl ester

Structural Information

Molecular Formula

C₁₀H₂₁BO₂

SMILES

B(C=C)(OCCCC)OCCCC

InChI

InChI=1S/C10H21BO2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h6H,3-5,7-10H2,1-2H3

InChIKey

JQKJEPJLCSCBGW-UHFFFAOYSA-N

Compound name

dibutoxy(ethenyl)borane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 511
Patents: 184.16347 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]+	185.17075	144.5
[M+Na]+	207.15269	153.9
[M+NH4]+	202.19729	151.6
[M+K]+	223.12663	147.6
[M-H]-	183.15619	143.5
[M+Na-2H]-	205.13814	147.0
[M]+	184.16292	145.3
[M]-	184.16402	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe