CID 2734348

3,4-dimethylphenylboronic acid

Structural Information

Molecular Formula

C₈H₁₁BO₂

SMILES

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

InChI

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

InChIKey

KDVZJKOYSOFXRV-UHFFFAOYSA-N

Compound name

(3,4-dimethylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1163
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]+	151.09248	129.6
[M+Na]+	173.07442	142.1
[M+NH4]+	168.11902	138.0
[M+K]+	189.04836	136.9
[M-H]-	149.07792	130.9
[M+Na-2H]-	171.05987	135.6
[M]+	150.08465	131.7
[M]-	150.08575	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe