CID 49760494

2-(isobutoxy)pyridine-4-boronic acid pinacol ester

Structural Information

Molecular Formula
C15H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)OCC(C)C
InChI
InChI=1S/C15H24BNO3/c1-11(2)10-18-13-9-12(7-8-17-13)16-19-14(3,4)15(5,6)20-16/h7-9,11H,10H2,1-6H3
InChIKey
KUEJHWXWCLEZPL-UHFFFAOYSA-N
Compound name
2-(2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.18494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19222 160.7
[M+Na]+ 300.17416 169.0
[M-H]- 276.17766 167.8
[M+NH4]+ 295.21876 179.2
[M+K]+ 316.14810 169.8
[M+H-H2O]+ 260.18220 155.2
[M+HCOO]- 322.18314 179.0
[M+CH3COO]- 336.19879 200.5
[M+Na-2H]- 298.15961 164.7
[M]+ 277.18439 165.9
[M]- 277.18549 165.9
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

No patent data available for this compound.