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

104
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.165976 146.9
[M+Na]+ 256.147918 157.4
[M-H]- 232.151424 154.7
[M+NH4]+ 251.192523 167.7
[M+K]+ 272.121858 157.7
[M+H-H2O]+ 216.155960 142.0
[M+HCOO]- 278.156901 166.7
[M+CH3COO]- 292.172551 192.7
[M+Na-2H]- 254.133366 152.4
[M]+ 233.15815142 151.0
[M]- 233.15924858 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