CID 18759618

[4-(but-3-en-1-yl)phenyl]boronic acid

Structural Information

Molecular Formula

C₁₀H₁₃BO₂

SMILES

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

InChI

InChI=1S/C10H13BO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h2,5-8,12-13H,1,3-4H2

InChIKey

LIRZHLRXOADXLE-UHFFFAOYSA-N

Compound name

(4-but-3-enylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 176.10086 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]+	177.10814	138.4
[M+Na]+	199.09008	150.1
[M+NH4]+	194.13468	146.1
[M+K]+	215.06402	144.2
[M-H]-	175.09358	139.3
[M+Na-2H]-	197.07553	143.9
[M]+	176.10031	140.2
[M]-	176.10141	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe