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-oxopyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
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

literature stripe

Patent stripe

patents stripe