CID 44119404

850568-33-1

Structural Information

Molecular Formula

C₁₃H₂₀BNO₃

SMILES

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

InChI

InChI=1S/C13H20BNO3/c1-9(2)15(10(3)4)13(16)11-5-7-12(8-6-11)14(17)18/h5-10,17-18H,1-4H3

InChIKey

OUULWFOPBSMMAD-UHFFFAOYSA-N

Compound name

[4-[di(propan-2-yl)carbamoyl]phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 249.15363 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]+	250.16091	158.5
[M+Na]+	272.14285	166.9
[M+NH4]+	267.18745	164.4
[M+K]+	288.11679	164.2
[M-H]-	248.14635	158.6
[M+Na-2H]-	270.12830	161.5
[M]+	249.15308	159.3
[M]-	249.15418	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe