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-oxopyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06700 126.4
[M+Na]+ 176.04894 135.7
[M-H]- 152.05244 126.9
[M+NH4]+ 171.09354 145.3
[M+K]+ 192.02288 133.9
[M+H-H2O]+ 136.05698 121.0
[M+HCOO]- 198.05792 147.3
[M+CH3COO]- 212.07357 170.6
[M+Na-2H]- 174.03439 132.3
[M]+ 153.05917 126.1
[M]- 153.06027 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