CID 68541944

(5-amino-2-methoxyphenyl)boronic acid

Structural Information

Molecular Formula

C₇H₁₀BNO₃

SMILES

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

InChI

InChI=1S/C7H10BNO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,9H2,1H3

InChIKey

HYRARRKVKUQXDS-UHFFFAOYSA-N

Compound name

(5-amino-2-methoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 167.07538 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]+	168.08266	132.7
[M+Na]+	190.06460	143.2
[M+NH4]+	185.10920	139.8
[M+K]+	206.03854	139.5
[M-H]-	166.06810	133.4
[M+Na-2H]-	188.05005	137.5
[M]+	167.07483	134.0
[M]-	167.07593	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe