CID 171521581

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

Structural Information

Molecular Formula
C16H28N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C2CCNCC2
InChI
InChI=1S/C16H28N2O3/c1-16(2,3)21-15(20)18-10-6-13(7-11-18)14(19)12-4-8-17-9-5-12/h12-13,17H,4-11H2,1-3H3
InChIKey
IFNCNENEEKUADU-UHFFFAOYSA-N
Compound name
tert-butyl 4-(piperidine-4-carbonyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.21 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.217276 174.4
[M+Na]+ 319.199218 174.9
[M-H]- 295.202724 174.6
[M+NH4]+ 314.243823 185.4
[M+K]+ 335.173158 172.7
[M+H-H2O]+ 279.207260 166.0
[M+HCOO]- 341.208201 182.7
[M+CH3COO]- 355.223851 198.9
[M+Na-2H]- 317.184666 173.0
[M]+ 296.20945142 166.1
[M]- 296.21054858 166.1
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