CID 2773583

380430-67-1

Structural Information

Molecular Formula

C₉H₁₃BO₅

SMILES

B(C1=C(C=CC(=C1OC)OC)OC)(O)O

InChI

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

InChIKey

PBJYOPCURLYSAG-UHFFFAOYSA-N

Compound name

(2,3,6-trimethoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
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]+	213.09288	143.0
[M+Na]+	235.07482	154.1
[M+NH4]+	230.11942	149.4
[M+K]+	251.04876	150.6
[M-H]-	211.07832	142.7
[M+Na-2H]-	233.06027	147.1
[M]+	212.08505	144.2
[M]-	212.08615	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe