CID 74890404

1-methyl-2-oxopyridine-3-boronic acid

Structural Information

Molecular Formula
C6H8BNO3
SMILES
B(C1=CC=CN(C1=O)C)(O)O
InChI
InChI=1S/C6H8BNO3/c1-8-4-2-3-5(6(8)9)7(10)11/h2-4,10-11H,1H3
InChIKey
IPAHLTCMITXOQM-UHFFFAOYSA-N
Compound name
(1-methyl-2-oxo-3-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.066996 126.4
[M+Na]+ 176.048938 135.7
[M-H]- 152.052444 126.9
[M+NH4]+ 171.093543 145.3
[M+K]+ 192.022878 133.9
[M+H-H2O]+ 136.056980 121.0
[M+HCOO]- 198.057921 147.3
[M+CH3COO]- 212.073571 170.6
[M+Na-2H]- 174.034386 132.3
[M]+ 153.05917142 126.1
[M]- 153.06026858 126.1
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