CID 23005356

909187-39-9

Structural Information

Molecular Formula

C₈H₁₁BO₃

SMILES

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

InChI

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

InChIKey

RGEFKQADFIJDCW-UHFFFAOYSA-N

Compound name

(2-methoxy-3-methylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
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	131.9
[M+Na]+	189.06934	140.1
[M-H]-	165.07284	133.5
[M+NH4]+	184.11394	151.6
[M+K]+	205.04328	138.6
[M+H-H2O]+	149.07738	127.0
[M+HCOO]-	211.07832	153.3
[M+CH3COO]-	225.09397	174.7
[M+Na-2H]-	187.05479	136.8
[M]+	166.07957	132.5
[M]-	166.08067	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe