CID 166000502

En300-39851690

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06995 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07723 142.4
[M+Na]+ 233.05917 148.4
[M-H]- 209.06267 142.2
[M+NH4]+ 228.10377 158.9
[M+K]+ 249.03311 147.4
[M+H-H2O]+ 193.06721 137.0
[M+HCOO]- 255.06815 160.5
[M+CH3COO]- 269.08380 178.9
[M+Na-2H]- 231.04462 144.4
[M]+ 210.06940 142.0
[M]- 210.07050 142.0
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

No patent data available for this compound.