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: 21
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	139.0
[M+Na]+	201.10574	145.2
[M-H]-	177.10924	140.0
[M+NH4]+	196.15034	157.9
[M+K]+	217.07968	143.1
[M+H-H2O]+	161.11378	133.8
[M+HCOO]-	223.11472	158.5
[M+CH3COO]-	237.13037	178.4
[M+Na-2H]-	199.09119	142.2
[M]+	178.11597	137.9
[M]-	178.11707	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe