CID 2734368

(6-methoxypyridin-3-yl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5158
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06700 127.8
[M+Na]+ 176.04894 135.9
[M-H]- 152.05244 127.8
[M+NH4]+ 171.09354 146.3
[M+K]+ 192.02288 134.7
[M+H-H2O]+ 136.05698 122.0
[M+HCOO]- 198.05792 148.5
[M+CH3COO]- 212.07357 170.2
[M+Na-2H]- 174.03439 134.4
[M]+ 153.05917 127.8
[M]- 153.06027 127.8
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