CID 46739833

Oxindole-6-boronic acid

Structural Information

Molecular Formula
C8H8BNO3
SMILES
B(C1=CC2=C(CC(=O)N2)C=C1)(O)O
InChI
InChI=1S/C8H8BNO3/c11-8-3-5-1-2-6(9(12)13)4-7(5)10-8/h1-2,4,12-13H,3H2,(H,10,11)
InChIKey
YLNQBQVYRMHRAQ-UHFFFAOYSA-N
Compound name
(2-oxo-1,3-dihydroindol-6-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

177.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06700 134.0
[M+Na]+ 200.04894 142.2
[M-H]- 176.05244 133.6
[M+NH4]+ 195.09354 153.7
[M+K]+ 216.02288 138.7
[M+H-H2O]+ 160.05698 128.9
[M+HCOO]- 222.05792 151.9
[M+CH3COO]- 236.07357 172.0
[M+Na-2H]- 198.03439 138.2
[M]+ 177.05917 130.7
[M]- 177.06027 130.7
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

patents stripe