CID 2762711

4-methylpyridine-3-boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

918
Patents

137.0648 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07208 124.9
[M+Na]+ 160.05402 133.1
[M-H]- 136.05752 125.0
[M+NH4]+ 155.09862 144.2
[M+K]+ 176.02796 131.3
[M+H-H2O]+ 120.06206 119.3
[M+HCOO]- 182.06300 145.4
[M+CH3COO]- 196.07865 168.0
[M+Na-2H]- 158.03947 131.5
[M]+ 137.06425 123.4
[M]- 137.06535 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