CID 91882676

2-[5-(dihydroxyboranyl)-2-methoxyphenyl]acetic acid

Structural Information

Molecular Formula
C9H11BO5
SMILES
B(C1=CC(=C(C=C1)OC)CC(=O)O)(O)O
InChI
InChI=1S/C9H11BO5/c1-15-8-3-2-7(10(13)14)4-6(8)5-9(11)12/h2-4,13-14H,5H2,1H3,(H,11,12)
InChIKey
XVWBANVSKMCENX-UHFFFAOYSA-N
Compound name
2-(5-borono-2-methoxyphenyl)acetic 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 143.1
[M+Na]+ 233.05917 152.9
[M+NH4]+ 228.10377 148.7
[M+K]+ 249.03311 150.3
[M-H]- 209.06267 141.7
[M+Na-2H]- 231.04462 146.2
[M]+ 210.06940 143.7
[M]- 210.07050 143.7
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.