CID 45786032

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

Structural Information

Molecular Formula
C15H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)OC3CCC3
InChI
InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)11-8-9-17-13(10-11)18-12-6-5-7-12/h8-10,12H,5-7H2,1-4H3
InChIKey
KYVALDGJBBJJQT-UHFFFAOYSA-N
Compound name
2-cyclobutyloxy-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

275.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17656 154.4
[M+Na]+ 298.15850 161.0
[M-H]- 274.16200 164.3
[M+NH4]+ 293.20310 166.3
[M+K]+ 314.13244 164.3
[M+H-H2O]+ 258.16654 144.3
[M+HCOO]- 320.16748 172.1
[M+CH3COO]- 334.18313 200.7
[M+Na-2H]- 296.14395 159.0
[M]+ 275.16873 165.8
[M]- 275.16983 165.8
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

No patent data available for this compound.