CID 68648992

1356087-46-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06700 128.6
[M+Na]+ 176.04894 140.2
[M+NH4]+ 171.09354 135.2
[M+K]+ 192.02288 136.5
[M-H]- 152.05244 127.8
[M+Na-2H]- 174.03439 133.3
[M]+ 153.05917 129.7
[M]- 153.06027 129.7
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