CID 583322

2,6-dimethylphenylboronic acid

Structural Information

Molecular Formula

C₈H₁₁BO₂

SMILES

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

InChI

InChI=1S/C8H11BO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3

InChIKey

ZXDTWWZIHJEZOG-UHFFFAOYSA-N

Compound name

(2,6-dimethylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1650
Patents: 150.0852 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]+	151.092476	128.8
[M+Na]+	173.074418	137.1
[M-H]-	149.077924	130.4
[M+NH4]+	168.119023	149.3
[M+K]+	189.048358	135.0
[M+H-H2O]+	133.082460	124.2
[M+HCOO]-	195.083401	149.9
[M+CH3COO]-	209.099051	172.6
[M+Na-2H]-	171.059866	133.6
[M]+	150.08465142	128.0
[M]-	150.08574858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe