CID 53216810

2,3-dimethylpyridine-5-boronic acid pinacol ester

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C)C
InChI
InChI=1S/C13H20BNO2/c1-9-7-11(8-15-10(9)2)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
InChIKey
LBQVSLAREHNEHT-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16598 146.9
[M+Na]+ 256.14792 157.4
[M-H]- 232.15142 154.7
[M+NH4]+ 251.19252 167.7
[M+K]+ 272.12186 157.7
[M+H-H2O]+ 216.15596 142.0
[M+HCOO]- 278.15690 166.7
[M+CH3COO]- 292.17255 192.7
[M+Na-2H]- 254.13337 152.4
[M]+ 233.15815 151.0
[M]- 233.15925 151.0
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