CID 23546922

4-boronopicolinic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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

No literature data available for this compound.

Patent stripe

patents stripe