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]+ 276.176556 154.4
[M+Na]+ 298.158498 161.0
[M-H]- 274.162004 164.3
[M+NH4]+ 293.203103 166.3
[M+K]+ 314.132438 164.3
[M+H-H2O]+ 258.166540 144.3
[M+HCOO]- 320.167481 172.1
[M+CH3COO]- 334.183131 200.7
[M+Na-2H]- 296.143946 159.0
[M]+ 275.16873142 165.8
[M]- 275.16982858 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.