CID 45791931

Tert-butyl 4-(piperidine-3-carbonyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C15H27N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCCNC2
InChI
InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-9-7-17(8-10-18)13(19)12-5-4-6-16-11-12/h12,16H,4-11H2,1-3H3
InChIKey
CGBRVCPIVDANCZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(piperidine-3-carbonyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.20523 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21251 175.2
[M+Na]+ 320.19445 176.2
[M-H]- 296.19795 174.3
[M+NH4]+ 315.23905 184.9
[M+K]+ 336.16839 174.1
[M+H-H2O]+ 280.20249 166.1
[M+HCOO]- 342.20343 182.5
[M+CH3COO]- 356.21908 198.1
[M+Na-2H]- 318.17990 174.3
[M]+ 297.20468 167.0
[M]- 297.20578 167.0
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