CID 45787280

(2-cyclobutylphenyl)boronic acid

Structural Information

Molecular Formula

C₁₀H₁₃BO₂

SMILES

B(C1=CC=CC=C1C2CCC2)(O)O

InChI

InChI=1S/C10H13BO2/c12-11(13)10-7-2-1-6-9(10)8-4-3-5-8/h1-2,6-8,12-13H,3-5H2

InChIKey

WFYRHICCXUSJLH-UHFFFAOYSA-N

Compound name

(2-cyclobutylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
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