CID 53217139

1218791-31-1

Structural Information

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

24
Patents

277.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.155806 156.6
[M+Na]+ 300.137748 166.6
[M-H]- 276.141254 164.4
[M+NH4]+ 295.182353 175.4
[M+K]+ 316.111688 167.7
[M+H-H2O]+ 260.145790 151.8
[M+HCOO]- 322.146731 175.7
[M+CH3COO]- 336.162381 199.5
[M+Na-2H]- 298.123196 160.9
[M]+ 277.14798142 162.7
[M]- 277.14907858 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