CID 11106616

126688-97-9

Structural Information

Molecular Formula

C₁₂H₂₃BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)/C=C/CCCC

InChI

InChI=1S/C12H23BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h9-10H,6-8H2,1-5H3/b10-9+

InChIKey

PAOJMGKYYPHNDO-MDZDMXLPSA-N

Compound name

2-[(E)-hex-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
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	144.8
[M+Na]+	233.16833	152.6
[M-H]-	209.17183	149.6
[M+NH4]+	228.21293	167.5
[M+K]+	249.14227	153.1
[M+H-H2O]+	193.17637	141.9
[M+HCOO]-	255.17731	164.8
[M+CH3COO]-	269.19296	187.8
[M+Na-2H]-	231.15378	150.6
[M]+	210.17856	148.8
[M]-	210.17966	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe