CID 164895535

3-bromo-6-methoxy-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C13H19BBrNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2OC)C)Br
InChI
InChI=1S/C13H19BBrNO3/c1-8-10(15)7-9(11(16-8)17-6)14-18-12(2,3)13(4,5)19-14/h7H,1-6H3
InChIKey
LWZYEWWAZAKGTM-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06415 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07143 159.6
[M+Na]+ 350.05337 173.4
[M-H]- 326.05687 169.9
[M+NH4]+ 345.09797 180.4
[M+K]+ 366.02731 165.7
[M+H-H2O]+ 310.06141 161.1
[M+HCOO]- 372.06235 177.4
[M+CH3COO]- 386.07800 205.0
[M+Na-2H]- 348.03882 165.7
[M]+ 327.06360 184.1
[M]- 327.06470 184.1
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.