CID 68648992

(6-hydroxy-5-methylpyridin-3-yl)boronic acid

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

34
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06700 127.4
[M+Na]+ 176.04894 136.3
[M-H]- 152.05244 126.5
[M+NH4]+ 171.09354 145.5
[M+K]+ 192.02288 133.6
[M+H-H2O]+ 136.05698 122.2
[M+HCOO]- 198.05792 146.8
[M+CH3COO]- 212.07357 168.1
[M+Na-2H]- 174.03439 132.7
[M]+ 153.05917 125.2
[M]- 153.06027 125.2
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