CID 58005626

2027496-50-8

Structural Information

Molecular Formula
C14H20BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCC(=O)OC
InChI
InChI=1S/C14H20BNO5/c1-13(2)14(3,4)21-15(20-13)10-6-7-11(16-8-10)19-9-12(17)18-5/h6-8H,9H2,1-5H3
InChIKey
QMSMRWQJDYUHEC-UHFFFAOYSA-N
Compound name
methyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

293.14346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15074 160.7
[M+Na]+ 316.13268 169.5
[M-H]- 292.13618 168.1
[M+NH4]+ 311.17728 178.4
[M+K]+ 332.10662 171.2
[M+H-H2O]+ 276.14072 155.3
[M+HCOO]- 338.14166 180.0
[M+CH3COO]- 352.15731 200.4
[M+Na-2H]- 314.11813 165.7
[M]+ 293.14291 167.8
[M]- 293.14401 167.8
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