CID 57416493

6-methoxy-5-methylpyridine-3-boronic acid pinacol ester

Structural Information

Molecular Formula
C13H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)C
InChI
InChI=1S/C13H20BNO3/c1-9-7-10(8-15-11(9)16-6)14-17-12(2,3)13(4,5)18-14/h7-8H,1-6H3
InChIKey
ILYKOEOLSBVPAC-UHFFFAOYSA-N
Compound name
2-methoxy-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 150.1
[M+Na]+ 272.14285 160.5
[M-H]- 248.14635 157.9
[M+NH4]+ 267.18745 170.2
[M+K]+ 288.11679 161.3
[M+H-H2O]+ 232.15089 145.1
[M+HCOO]- 294.15183 170.2
[M+CH3COO]- 308.16748 194.9
[M+Na-2H]- 270.12830 155.8
[M]+ 249.15308 155.7
[M]- 249.15418 155.7
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