CID 67814299

1-methyl-2-oxo-1,2-dihydropyridine-4-boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
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

literature stripe

Patent stripe

patents stripe