CID 44119587

4-(2-methoxy-2-oxoethoxy)benzeneboronic acid

Structural Information

Molecular Formula
C9H11BO5
SMILES
B(C1=CC=C(C=C1)OCC(=O)OC)(O)O
InChI
InChI=1S/C9H11BO5/c1-14-9(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5,12-13H,6H2,1H3
InChIKey
PPRYMJXGSLSVJQ-UHFFFAOYSA-N
Compound name
[4-(2-methoxy-2-oxoethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

210.06995 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07723 141.8
[M+Na]+ 233.05917 148.4
[M-H]- 209.06267 142.8
[M+NH4]+ 228.10377 159.1
[M+K]+ 249.03311 147.7
[M+H-H2O]+ 193.06721 136.0
[M+HCOO]- 255.06815 162.4
[M+CH3COO]- 269.08380 180.2
[M+Na-2H]- 231.04462 145.6
[M]+ 210.06940 143.8
[M]- 210.07050 143.8
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