CID 18616974

259209-27-3

Structural Information

Molecular Formula

C₁₀H₁₅BO₃

SMILES

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

InChI

InChI=1S/C10H15BO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12-14H,1-3H3

InChIKey

KAHMKMRXTYEUCA-UHFFFAOYSA-N

Compound name

(5-tert-butyl-2-hydroxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 194.11142 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]+	195.11870	142.3
[M+Na]+	217.10064	153.0
[M+NH4]+	212.14524	149.1
[M+K]+	233.07458	149.5
[M-H]-	193.10414	141.8
[M+Na-2H]-	215.08609	146.5
[M]+	194.11087	143.5
[M]-	194.11197	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe