CID 21582509

560132-24-3

Structural Information

Molecular Formula

C₁₀H₁₅BO₂

SMILES

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

InChI

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

InChIKey

OKBOGYOXEDEGOG-UHFFFAOYSA-N

Compound name

(3-tert-butylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 392
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	138.5
[M+Na]+	201.10574	145.5
[M-H]-	177.10924	139.7
[M+NH4]+	196.15034	157.7
[M+K]+	217.07968	143.4
[M+H-H2O]+	161.11378	133.9
[M+HCOO]-	223.11472	157.4
[M+CH3COO]-	237.13037	177.2
[M+Na-2H]-	199.09119	143.7
[M]+	178.11597	137.4
[M]-	178.11707	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe