CID 92130846

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,3]dioxolo[4,5-b]pyridine

Structural Information

Molecular Formula
C12H16BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)OCO3
InChI
InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)8-5-9-10(14-6-8)16-7-15-9/h5-6H,7H2,1-4H3
InChIKey
UJZKCSUOWLEUTH-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,3]dioxolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.124506 149.1
[M+Na]+ 272.106448 159.4
[M-H]- 248.109954 158.6
[M+NH4]+ 267.151053 168.5
[M+K]+ 288.080388 162.1
[M+H-H2O]+ 232.114490 145.6
[M+HCOO]- 294.115431 166.6
[M+CH3COO]- 308.131081 163.5
[M+Na-2H]- 270.091896 155.9
[M]+ 249.11668142 154.6
[M]- 249.11777858 154.6
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.