CID 21183153

1117776-68-7

Structural Information

Molecular Formula

C₉H₁₁BO₃

SMILES

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

InChI

InChI=1S/C9H11BO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h2-6,11-12H,1,7H2

InChIKey

HOFUGGFJBSCHEW-UHFFFAOYSA-N

Compound name

(4-prop-2-enoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 289
Patents: 178.08012 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]+	179.08740	137.0
[M+Na]+	201.06934	148.4
[M+NH4]+	196.11394	144.3
[M+K]+	217.04328	143.2
[M-H]-	177.07284	137.4
[M+Na-2H]-	199.05479	142.3
[M]+	178.07957	138.5
[M]-	178.08067	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe