CID 127263275

1842396-18-2

Structural Information

Molecular Formula
C14H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2C)C(=O)OC
InChI
InChI=1S/C14H20BNO4/c1-9-8-16-11(12(17)18-6)7-10(9)15-19-13(2,3)14(4,5)20-15/h7-8H,1-6H3
InChIKey
KEDILZBYBRJVSA-UHFFFAOYSA-N
Compound name
methyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

277.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15581 159.4
[M+Na]+ 300.13775 171.4
[M+NH4]+ 295.18235 168.7
[M+K]+ 316.11169 165.7
[M-H]- 276.14125 163.7
[M+Na-2H]- 298.12320 166.1
[M]+ 277.14798 162.7
[M]- 277.14908 162.7
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

patents stripe