CID 2763087

5-methoxypyridine-3-boronic acid

Structural Information

Molecular Formula
C6H8BNO3
SMILES
B(C1=CC(=CN=C1)OC)(O)O
InChI
InChI=1S/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
InChIKey
ISDFOFZTZUILPE-UHFFFAOYSA-N
Compound name
(5-methoxypyridin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

862
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06700 128.7
[M+Na]+ 176.04894 140.4
[M+NH4]+ 171.09354 135.9
[M+K]+ 192.02288 136.3
[M-H]- 152.05244 128.6
[M+Na-2H]- 174.03439 134.4
[M]+ 153.05917 130.1
[M]- 153.06027 130.1
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

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