CID 57497268

4-formyl-2,6-dimethylphenylboronic acid

Structural Information

Molecular Formula

C₉H₁₁BO₃

SMILES

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

InChI

InChI=1S/C9H11BO3/c1-6-3-8(5-11)4-7(2)9(6)10(12)13/h3-5,12-13H,1-2H3

InChIKey

MGJJTEKBMONTCP-UHFFFAOYSA-N

Compound name

(4-formyl-2,6-dimethylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 178.08012 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]+	179.08740	136.2
[M+Na]+	201.06934	148.4
[M+NH4]+	196.11394	143.5
[M+K]+	217.04328	143.7
[M-H]-	177.07284	136.7
[M+Na-2H]-	199.05479	141.1
[M]+	178.07957	137.9
[M]-	178.08067	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe