CID 5084100

2-butoxyphenylboronic acid

Structural Information

Molecular Formula

C₁₀H₁₅BO₃

SMILES

B(C1=CC=CC=C1OCCCC)(O)O

InChI

InChI=1S/C10H15BO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7,12-13H,2-3,8H2,1H3

InChIKey

NNZPYUBZXKOFHS-UHFFFAOYSA-N

Compound name

(2-butoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 135
Patents: 194.11142 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]+	195.11870	141.9
[M+Na]+	217.10064	148.3
[M-H]-	193.10414	142.7
[M+NH4]+	212.14524	160.2
[M+K]+	233.07458	146.2
[M+H-H2O]+	177.10868	136.3
[M+HCOO]-	239.10962	162.6
[M+CH3COO]-	253.12527	179.6
[M+Na-2H]-	215.08609	146.3
[M]+	194.11087	142.9
[M]-	194.11197	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe