CID 64313808

[2-(but-3-en-1-yloxy)phenyl]boronic acid

Structural Information

Molecular Formula

C₁₀H₁₃BO₃

SMILES

B(C1=CC=CC=C1OCCC=C)(O)O

InChI

InChI=1S/C10H13BO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h2,4-7,12-13H,1,3,8H2

InChIKey

MVCOJELFIBMARL-UHFFFAOYSA-N

Compound name

(2-but-3-enoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.09578 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]+	193.103056	140.6
[M+Na]+	215.084998	147.2
[M-H]-	191.088504	141.4
[M+NH4]+	210.129603	158.8
[M+K]+	231.058938	144.5
[M+H-H2O]+	175.093040	135.0
[M+HCOO]-	237.093981	161.4
[M+CH3COO]-	251.109631	178.7
[M+Na-2H]-	213.070446	145.0
[M]+	192.09523142	140.8
[M]-	192.09632858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.