CID 14740579

5-(tert-butyl)-2-methoxybenzeneboronic acid

Structural Information

Molecular Formula

C₁₁H₁₇BO₃

SMILES

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

InChI

InChI=1S/C11H17BO3/c1-11(2,3)8-5-6-10(15-4)9(7-8)12(13)14/h5-7,13-14H,1-4H3

InChIKey

LXFOJKCQSAYVMF-UHFFFAOYSA-N

Compound name

(5-tert-butyl-2-methoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 208.12708 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]+	209.13436	145.5
[M+Na]+	231.11630	152.9
[M-H]-	207.11980	147.0
[M+NH4]+	226.16090	163.8
[M+K]+	247.09024	151.3
[M+H-H2O]+	191.12434	140.8
[M+HCOO]-	253.12528	164.4
[M+CH3COO]-	267.14093	183.6
[M+Na-2H]-	229.10175	149.6
[M]+	208.12653	146.7
[M]-	208.12763	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe