CID 44119385

6-carboxypyridine-3-boronic 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

54
Patents

167.03899 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04627 130.1
[M+Na]+ 190.02821 137.6
[M-H]- 166.03171 128.8
[M+NH4]+ 185.07281 147.1
[M+K]+ 206.00215 136.0
[M+H-H2O]+ 150.03625 124.4
[M+HCOO]- 212.03719 148.7
[M+CH3COO]- 226.05284 170.0
[M+Na-2H]- 188.01366 135.0
[M]+ 167.03844 128.3
[M]- 167.03954 128.3
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

patents stripe