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]+ 278.15581 151.3
[M+Na]+ 300.13775 158.1
[M-H]- 276.14125 161.8
[M+NH4]+ 295.18235 161.7
[M+K]+ 316.11169 163.2
[M+H-H2O]+ 260.14579 141.6
[M+HCOO]- 322.14673 168.4
[M+CH3COO]- 336.16238 200.3
[M+Na-2H]- 298.12320 157.3
[M]+ 277.14798 164.3
[M]- 277.14908 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.