CID 2763081

2-methylpyridine-5-boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1998
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

literature stripe

Patent stripe

patents stripe