CID 2734363

342002-80-6

Structural Information

Molecular Formula

C₁₀H₁₃BO₄

SMILES

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

InChI

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

InChIKey

HXVODQWMURGQMP-UHFFFAOYSA-N

Compound name

(3-propan-2-yloxycarbonylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
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	144.5
[M+Na]+	231.07990	154.5
[M+NH4]+	226.12450	150.8
[M+K]+	247.05384	151.3
[M-H]-	207.08340	143.9
[M+Na-2H]-	229.06535	148.3
[M]+	208.09013	145.4
[M]-	208.09123	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe