CID 44119385

5-boronopicolinic acid

Structural Information

Molecular Formula
C6H6BNO4
SMILES
B(C1=CN=C(C=C1)C(=O)O)(O)O
InChI
InChI=1S/C6H6BNO4/c9-6(10)5-2-1-4(3-8-5)7(11)12/h1-3,11-12H,(H,9,10)
InChIKey
UEKWXZLQKGKCEQ-UHFFFAOYSA-N
Compound name
5-boronopyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

167.03899 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04627 131.5
[M+Na]+ 190.02821 141.9
[M+NH4]+ 185.07281 137.3
[M+K]+ 206.00215 139.4
[M-H]- 166.03171 129.9
[M+Na-2H]- 188.01366 135.6
[M]+ 167.03844 132.1
[M]- 167.03954 132.1
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

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