CID 172644635

3-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C14H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OC3COC3
InChI
InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-5-11(7-16-6-10)18-12-8-17-9-12/h5-7,12H,8-9H2,1-4H3
InChIKey
VLOPGBXDLHSTBE-UHFFFAOYSA-N
Compound name
3-(oxetan-3-yloxy)-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

0
Patents

277.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.155806 151.3
[M+Na]+ 300.137748 158.1
[M-H]- 276.141254 161.8
[M+NH4]+ 295.182353 161.7
[M+K]+ 316.111688 163.2
[M+H-H2O]+ 260.145790 141.6
[M+HCOO]- 322.146731 168.4
[M+CH3COO]- 336.162381 200.3
[M+Na-2H]- 298.123196 157.3
[M]+ 277.14798142 164.3
[M]- 277.14907858 164.3
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.