CID 3016474

48150-45-4

Structural Information

Molecular Formula

C₁₀H₁₂BNO₃

SMILES

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

InChI

InChI=1S/C10H12BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-6,14-15H,1H2,2H3,(H,12,13)

InChIKey

GBBUBIKYAQLESK-UHFFFAOYSA-N

Compound name

[3-(2-methylprop-2-enoylamino)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 421
Patents: 205.09102 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]+	206.098296	144.0
[M+Na]+	228.080238	149.6
[M-H]-	204.083744	145.0
[M+NH4]+	223.124843	161.1
[M+K]+	244.054178	147.4
[M+H-H2O]+	188.088280	138.3
[M+HCOO]-	250.089221	164.1
[M+CH3COO]-	264.104871	184.2
[M+Na-2H]-	226.065686	146.2
[M]+	205.09047142	141.4
[M]-	205.09156858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe