CID 292184

2,4,6-trimethylphenylboronic acid

Structural Information

Molecular Formula

C₉H₁₃BO₂

SMILES

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

InChI

InChI=1S/C9H13BO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,11-12H,1-3H3

InChIKey

BZXQRXJJJUZZAJ-UHFFFAOYSA-N

Compound name

(2,4,6-trimethylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1314
Patents: 164.10086 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]+	165.10814	133.8
[M+Na]+	187.09008	146.5
[M+NH4]+	182.13468	142.0
[M+K]+	203.06402	141.3
[M-H]-	163.09358	135.2
[M+Na-2H]-	185.07553	139.3
[M]+	164.10031	135.9
[M]-	164.10141	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe