CID 23546917

2-(hydroxy)pyridine-4-boronic acid

Structural Information

Molecular Formula
C5H6BNO3
SMILES
B(C1=CC(=O)NC=C1)(O)O
InChI
InChI=1S/C5H6BNO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3,9-10H,(H,7,8)
InChIKey
JCYJDDDSHUVYNE-UHFFFAOYSA-N
Compound name
(2-oxo-1H-pyridin-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

139.04407 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05135 123.2
[M+Na]+ 162.03329 131.6
[M-H]- 138.03679 122.0
[M+NH4]+ 157.07789 141.5
[M+K]+ 178.00723 129.0
[M+H-H2O]+ 122.04133 117.9
[M+HCOO]- 184.04227 142.9
[M+CH3COO]- 198.05792 163.9
[M+Na-2H]- 160.01874 129.8
[M]+ 139.04352 120.2
[M]- 139.04462 120.2
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