CID 49760510

2096337-57-2

Structural Information

Molecular Formula
C15H22BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)OC)C(=O)OCC
InChI
InChI=1S/C15H22BNO5/c1-7-20-13(18)11-8-10(9-12(17-11)19-6)16-21-14(2,3)15(4,5)22-16/h8-9H,7H2,1-6H3
InChIKey
IWIPJHIUADMVPW-UHFFFAOYSA-N
Compound name
ethyl 6-methoxy-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

0
Patents

307.1591 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16638 164.1
[M+Na]+ 330.14832 173.4
[M-H]- 306.15182 171.6
[M+NH4]+ 325.19292 181.5
[M+K]+ 346.12226 174.9
[M+H-H2O]+ 290.15636 158.9
[M+HCOO]- 352.15730 183.0
[M+CH3COO]- 366.17295 204.6
[M+Na-2H]- 328.13377 168.0
[M]+ 307.15855 171.9
[M]- 307.15965 171.9
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.