CID 5146717

243140-14-9

Structural Information

Molecular Formula

C₁₀H₁₃BO₄

SMILES

B(C1=CC=CC=C1C2(OCCO2)C)(O)O

InChI

InChI=1S/C10H13BO4/c1-10(14-6-7-15-10)8-4-2-3-5-9(8)11(12)13/h2-5,12-13H,6-7H2,1H3

InChIKey

LQXLVSDIQAVYOM-UHFFFAOYSA-N

Compound name

[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 208.09068 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]+	209.09796	142.5
[M+Na]+	231.07990	149.1
[M-H]-	207.08340	148.0
[M+NH4]+	226.12450	160.9
[M+K]+	247.05384	149.5
[M+H-H2O]+	191.08794	137.8
[M+HCOO]-	253.08888	160.9
[M+CH3COO]-	267.10453	177.9
[M+Na-2H]-	229.06535	148.2
[M]+	208.09013	141.9
[M]-	208.09123	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe