CID 23005364

91062-38-3

Structural Information

Molecular Formula

C₁₀H₁₃BO₄

SMILES

B(C1=CC=C(C=C1)C(=O)OCCC)(O)O

InChI

InChI=1S/C10H13BO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,2,7H2,1H3

InChIKey

XJEONFAJOXSZDX-UHFFFAOYSA-N

Compound name

(4-propoxycarbonylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	144.6
[M+Na]+	231.07990	155.0
[M+NH4]+	226.12450	151.0
[M+K]+	247.05384	151.0
[M-H]-	207.08340	144.2
[M+Na-2H]-	229.06535	148.8
[M]+	208.09013	145.7
[M]-	208.09123	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe