CID 45787278

3-cyclobutylphenylboronic acid

Structural Information

Molecular Formula

C₁₀H₁₃BO₂

SMILES

B(C1=CC(=CC=C1)C2CCC2)(O)O

InChI

InChI=1S/C10H13BO2/c12-11(13)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8,12-13H,1,3-4H2

InChIKey

DIBZIPRWPYPKLE-UHFFFAOYSA-N

Compound name

(3-cyclobutylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 176.10086 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]+	177.10814	136.5
[M+Na]+	199.09008	143.7
[M+NH4]+	194.13468	141.1
[M+K]+	215.06402	140.3
[M-H]-	175.09358	136.4
[M+Na-2H]-	197.07553	140.8
[M]+	176.10031	136.2
[M]-	176.10141	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe