CID 23546922

1072946-59-8

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

27
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

No literature data available for this compound.

Patent stripe

patents stripe