CID 45090882

1142944-78-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

153.05972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.066996 127.8
[M+Na]+ 176.048938 135.9
[M-H]- 152.052444 127.8
[M+NH4]+ 171.093543 146.3
[M+K]+ 192.022878 134.7
[M+H-H2O]+ 136.056980 122.0
[M+HCOO]- 198.057921 148.5
[M+CH3COO]- 212.073571 170.2
[M+Na-2H]- 174.034386 134.4
[M]+ 153.05917142 127.8
[M]- 153.06026858 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

No literature data available for this compound.

Patent stripe

patents stripe