CID 2734320

4-tert-butylphenylboronic acid

Structural Information

Molecular Formula

C₁₀H₁₅BO₂

SMILES

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

InChI

InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3

InChIKey

MNJYZNVROSZZQC-UHFFFAOYSA-N

Compound name

(4-tert-butylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3892
Patents: 178.11652 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]+	179.12380	139.2
[M+Na]+	201.10574	150.6
[M+NH4]+	196.15034	147.0
[M+K]+	217.07968	146.0
[M-H]-	177.10924	139.7
[M+Na-2H]-	199.09119	144.8
[M]+	178.11597	140.9
[M]-	178.11707	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe