CID 53801478

1313617-76-3

Structural Information

Molecular Formula

C₈H₁₁BO₃

SMILES

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

InChI

InChI=1S/C8H11BO3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5,10-11H,1-2H3

InChIKey

FISOIOAMTHXGEL-UHFFFAOYSA-N

Compound name

(3-methoxy-2-methylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 166.08012 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]+	167.08740	132.7
[M+Na]+	189.06934	144.7
[M+NH4]+	184.11394	140.5
[M+K]+	205.04328	140.1
[M-H]-	165.07284	133.5
[M+Na-2H]-	187.05479	138.2
[M]+	166.07957	134.5
[M]-	166.08067	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe