CID 2734378

Pyridine-3-boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

10
References

16882
Patents

123.04916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05644 121.4
[M+Na]+ 146.03838 133.4
[M+NH4]+ 141.08298 129.3
[M+K]+ 162.01232 128.8
[M-H]- 122.04188 121.8
[M+Na-2H]- 144.02383 128.1
[M]+ 123.04861 123.0
[M]- 123.04971 123.0
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