CID 46739267

1083168-93-7

Structural Information

Molecular Formula
C14H20BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)C(=O)OC
InChI
InChI=1S/C14H20BNO5/c1-13(2)14(3,4)21-15(20-13)9-7-10(12(17)19-6)11(18-5)16-8-9/h7-8H,1-6H3
InChIKey
AAGCRUBARZVHFE-UHFFFAOYSA-N
Compound name
methyl 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

293.14346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15074 162.3
[M+Na]+ 316.13268 173.8
[M+NH4]+ 311.17728 171.0
[M+K]+ 332.10662 168.6
[M-H]- 292.13618 166.0
[M+Na-2H]- 314.11813 168.6
[M]+ 293.14291 165.2
[M]- 293.14401 165.2
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