CID 2773582

2,3,4-trimethoxybenzeneboronic acid

Structural Information

Molecular Formula

C₉H₁₃BO₅

SMILES

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

InChI

InChI=1S/C9H13BO5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,11-12H,1-3H3

InChIKey

LDQLSQRFSNMANA-UHFFFAOYSA-N

Compound name

(2,3,4-trimethoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 289
Patents: 212.0856 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]+	213.092876	141.5
[M+Na]+	235.074818	149.8
[M-H]-	211.078324	143.2
[M+NH4]+	230.119423	159.4
[M+K]+	251.048758	149.4
[M+H-H2O]+	195.082860	136.0
[M+HCOO]-	257.083801	162.9
[M+CH3COO]-	271.099451	183.3
[M+Na-2H]-	233.060266	145.2
[M]+	212.08505142	145.8
[M]-	212.08614858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe