CID 2773475

4-(n-isopropylaminocarbonyl)phenylboronic acid

Structural Information

Molecular Formula

C₁₀H₁₄BNO₃

SMILES

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

InChI

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

InChIKey

GBCSEYKTZAKRMT-UHFFFAOYSA-N

Compound name

[4-(propan-2-ylcarbamoyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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]+	208.113946	145.4
[M+Na]+	230.095888	150.6
[M-H]-	206.099394	146.3
[M+NH4]+	225.140493	162.5
[M+K]+	246.069828	149.1
[M+H-H2O]+	190.103930	139.5
[M+HCOO]-	252.104871	165.2
[M+CH3COO]-	266.120521	185.0
[M+Na-2H]-	228.081336	147.5
[M]+	207.10612142	143.4
[M]-	207.10721858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe