CID 45361769

2,3-dimethoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C13H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NC(=C(C=C2)OC)OC
InChI
InChI=1S/C13H20BNO4/c1-12(2)13(3,4)19-14(18-12)10-8-7-9(16-5)11(15-10)17-6/h7-8H,1-6H3
InChIKey
KNGSFEZPJJQMAZ-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

265.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15581 155.7
[M+Na]+ 288.13775 168.2
[M+NH4]+ 283.18235 165.5
[M+K]+ 304.11169 161.9
[M-H]- 264.14125 160.4
[M+Na-2H]- 286.12320 163.1
[M]+ 265.14798 159.2
[M]- 265.14908 159.2
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