CID 43811062

6-(pyrrolidin-1-yl)pyridine-3-boronic acid, pinacol ester

Structural Information

Molecular Formula
C15H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCCC3
InChI
InChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-7-8-13(17-11-12)18-9-5-6-10-18/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey
HGBBKKWVSQBIMM-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-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

270
Patents

274.18527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19255 159.8
[M+Na]+ 297.17449 167.6
[M-H]- 273.17799 168.4
[M+NH4]+ 292.21909 178.3
[M+K]+ 313.14843 167.2
[M+H-H2O]+ 257.18253 153.0
[M+HCOO]- 319.18347 176.9
[M+CH3COO]- 333.19912 172.2
[M+Na-2H]- 295.15994 161.6
[M]+ 274.18472 160.0
[M]- 274.18582 160.0
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