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

0
Patents

296.21 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.21728 174.4
[M+Na]+ 319.19922 174.9
[M-H]- 295.20272 174.6
[M+NH4]+ 314.24382 185.4
[M+K]+ 335.17316 172.7
[M+H-H2O]+ 279.20726 166.0
[M+HCOO]- 341.20820 182.7
[M+CH3COO]- 355.22385 198.9
[M+Na-2H]- 317.18467 173.0
[M]+ 296.20945 166.1
[M]- 296.21055 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

No patent data available for this compound.