CID 46738764

903899-13-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

139.04407 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05135 124.4
[M+Na]+ 162.03329 135.8
[M+NH4]+ 157.07789 131.1
[M+K]+ 178.00723 132.1
[M-H]- 138.03679 123.5
[M+Na-2H]- 160.01874 129.6
[M]+ 139.04352 125.4
[M]- 139.04462 125.4
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