CID 53216708

4-cyclopropoxyphenylboronic acid

Structural Information

Molecular Formula

C₉H₁₁BO₃

SMILES

B(C1=CC=C(C=C1)OC2CC2)(O)O

InChI

InChI=1S/C9H11BO3/c11-10(12)7-1-3-8(4-2-7)13-9-5-6-9/h1-4,9,11-12H,5-6H2

InChIKey

IZOOGQYKHWNGOK-UHFFFAOYSA-N

Compound name

(4-cyclopropyloxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 178.08012 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]+	179.08740	138.5
[M+Na]+	201.06934	151.4
[M+NH4]+	196.11394	147.1
[M+K]+	217.04328	147.8
[M-H]-	177.07284	147.4
[M+Na-2H]-	199.05479	147.5
[M]+	178.07957	143.8
[M]-	178.08067	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe