CID 17750256

3-methoxy-4-(methoxycarbonyl)benzeneboronic acid

Structural Information

Molecular Formula
C9H11BO5
SMILES
B(C1=CC(=C(C=C1)C(=O)OC)OC)(O)O
InChI
InChI=1S/C9H11BO5/c1-14-8-5-6(10(12)13)3-4-7(8)9(11)15-2/h3-5,12-13H,1-2H3
InChIKey
YCXPWNGIPLGCOJ-UHFFFAOYSA-N
Compound name
(3-methoxy-4-methoxycarbonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

354
Patents

210.06995 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07723 141.0
[M+Na]+ 233.05917 148.6
[M-H]- 209.06267 142.5
[M+NH4]+ 228.10377 158.6
[M+K]+ 249.03311 148.0
[M+H-H2O]+ 193.06721 135.5
[M+HCOO]- 255.06815 161.6
[M+CH3COO]- 269.08380 181.5
[M+Na-2H]- 231.04462 144.1
[M]+ 210.06940 143.5
[M]- 210.07050 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe