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]+ 250.12451 149.1
[M+Na]+ 272.10645 159.4
[M-H]- 248.10995 158.6
[M+NH4]+ 267.15105 168.5
[M+K]+ 288.08039 162.1
[M+H-H2O]+ 232.11449 145.6
[M+HCOO]- 294.11543 166.6
[M+CH3COO]- 308.13108 163.5
[M+Na-2H]- 270.09190 155.9
[M]+ 249.11668 154.6
[M]- 249.11778 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.