CID 5156491

2,3-dimethoxybenzeneboronic acid

Structural Information

Molecular Formula
C8H11BO4
SMILES
B(C1=C(C(=CC=C1)OC)OC)(O)O
InChI
InChI=1S/C8H11BO4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5,10-11H,1-2H3
InChIKey
VREWSCMOGIXMDQ-UHFFFAOYSA-N
Compound name
(2,3-dimethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

815
Patents

182.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08232 134.8
[M+Na]+ 205.06426 142.8
[M-H]- 181.06776 136.4
[M+NH4]+ 200.10886 153.8
[M+K]+ 221.03820 141.9
[M+H-H2O]+ 165.07230 129.6
[M+HCOO]- 227.07324 156.4
[M+CH3COO]- 241.08889 176.9
[M+Na-2H]- 203.04971 139.7
[M]+ 182.07449 136.9
[M]- 182.07559 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe