CID 2734657

4-acetamidophenylboronic acid

Structural Information

Molecular Formula

C₈H₁₀BNO₃

SMILES

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

InChI

InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)

InChIKey

VYEWTHXZHHATTA-UHFFFAOYSA-N

Compound name

(4-acetamidophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1123
Patents: 179.07538 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]+	180.08266	137.0
[M+Na]+	202.06460	146.9
[M+NH4]+	197.10920	143.7
[M+K]+	218.03854	143.2
[M-H]-	178.06810	137.4
[M+Na-2H]-	200.05005	141.7
[M]+	179.07483	138.1
[M]-	179.07593	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe