CID 44119846

874459-76-4

Structural Information

Molecular Formula

C₁₀H₁₄BNO₃

SMILES

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

InChI

InChI=1S/C10H14BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)

InChIKey

HXBVOKMSEWLCKA-UHFFFAOYSA-N

Compound name

[3-(2-methylpropanoylamino)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 207.10667 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]+	208.11395	145.4
[M+Na]+	230.09589	150.6
[M-H]-	206.09939	146.3
[M+NH4]+	225.14049	162.5
[M+K]+	246.06983	149.1
[M+H-H2O]+	190.10393	139.5
[M+HCOO]-	252.10487	165.2
[M+CH3COO]-	266.12052	185.0
[M+Na-2H]-	228.08134	147.5
[M]+	207.10612	143.4
[M]-	207.10722	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe