CID 2762708

5-methylpyridine-3-boronic acid

Structural Information

Molecular Formula
C6H8BNO2
SMILES
B(C1=CC(=CN=C1)C)(O)O
InChI
InChI=1S/C6H8BNO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4,9-10H,1H3
InChIKey
REONQWGHSQHTAC-UHFFFAOYSA-N
Compound name
(5-methyl-3-pyridinyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

846
Patents

137.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.072076 124.9
[M+Na]+ 160.054018 133.1
[M-H]- 136.057524 125.0
[M+NH4]+ 155.098623 144.2
[M+K]+ 176.027958 131.3
[M+H-H2O]+ 120.062060 119.3
[M+HCOO]- 182.063001 145.4
[M+CH3COO]- 196.078651 168.0
[M+Na-2H]- 158.039466 131.5
[M]+ 137.06425142 123.4
[M]- 137.06534858 123.4
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