CID 2762745

Pyridine-2-boronic acid

Structural Information

Molecular Formula
C5H6BNO2
SMILES
B(C1=CC=CC=N1)(O)O
InChI
InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H
InChIKey
UMLDUMMLRZFROX-UHFFFAOYSA-N
Compound name
pyridin-2-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3540
Patents

123.04916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.056436 120.6
[M+Na]+ 146.038378 128.3
[M-H]- 122.041884 120.5
[M+NH4]+ 141.082983 140.1
[M+K]+ 162.012318 126.8
[M+H-H2O]+ 106.046420 115.0
[M+HCOO]- 168.047361 141.5
[M+CH3COO]- 182.063011 163.9
[M+Na-2H]- 144.023826 128.5
[M]+ 123.04861142 118.4
[M]- 123.04970858 118.4
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