CID 5107256

2225151-86-8

Structural Information

Molecular Formula

C₁₀H₁₅BO₂

SMILES

B(C1=CC=CC=C1C(C)CC)(O)O

InChI

InChI=1S/C10H15BO2/c1-3-8(2)9-6-4-5-7-10(9)11(12)13/h4-8,12-13H,3H2,1-2H3

InChIKey

MPGPVHMCNDIRLK-UHFFFAOYSA-N

Compound name

(2-butan-2-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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	139.3
[M+Na]+	201.10574	150.6
[M+NH4]+	196.15034	147.2
[M+K]+	217.07968	145.6
[M-H]-	177.10924	140.2
[M+Na-2H]-	199.09119	144.5
[M]+	178.11597	141.0
[M]-	178.11707	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe