CID 44119823

874219-16-6

Structural Information

Molecular Formula

C₉H₁₂BNO₃

SMILES

B(C1=CC=CC=C1C(=O)N(C)C)(O)O

InChI

InChI=1S/C9H12BNO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6,13-14H,1-2H3

InChIKey

NZIOVLXULSCCSG-UHFFFAOYSA-N

Compound name

[2-(dimethylcarbamoyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 193.09102 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]+	194.09830	141.0
[M+Na]+	216.08024	150.9
[M+NH4]+	211.12484	147.8
[M+K]+	232.05418	147.5
[M-H]-	192.08374	141.7
[M+Na-2H]-	214.06569	145.8
[M]+	193.09047	142.3
[M]-	193.09157	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe