CID 16217946

2-(piperazin-1-yl)pyridine-5-boronic acid, pinacol ester

Structural Information

Molecular Formula
C15H24BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCNCC3
InChI
InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19/h5-6,11,17H,7-10H2,1-4H3
InChIKey
MEHCIETYEUUYGC-UHFFFAOYSA-N
Compound name
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

289.19617 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.20345 167.6
[M+Na]+ 312.18539 174.2
[M-H]- 288.18889 172.8
[M+NH4]+ 307.22999 181.3
[M+K]+ 328.15933 172.7
[M+H-H2O]+ 272.19343 158.6
[M+HCOO]- 334.19437 179.5
[M+CH3COO]- 348.21002 177.6
[M+Na-2H]- 310.17084 170.0
[M]+ 289.19562 164.1
[M]- 289.19672 164.1
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

patents stripe