CID 16217948

957198-31-1

Structural Information

Molecular Formula
C15H24BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)N3CCNCC3
InChI
InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-5-6-18-13(11-12)19-9-7-17-8-10-19/h5-6,11,17H,7-10H2,1-4H3
InChIKey
LOZSSHYLDBDYSQ-UHFFFAOYSA-N
Compound name
1-[4-(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

110
Patents

289.19617 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.20345 167.9
[M+Na]+ 312.18539 179.8
[M+NH4]+ 307.22999 177.5
[M+K]+ 328.15933 172.7
[M-H]- 288.18889 173.6
[M+Na-2H]- 310.17084 175.4
[M]+ 289.19562 171.5
[M]- 289.19672 171.5
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