CID 155943764

2613386-46-0

Structural Information

Molecular Formula
C17H32N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC(CCC1)C2CCNCC2
InChI
InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-12-4-6-14(7-5-13-19)15-8-10-18-11-9-15/h14-15,18H,4-13H2,1-3H3
InChIKey
GTFZMDCGXOJFFP-UHFFFAOYSA-N
Compound name
tert-butyl 5-piperidin-4-ylazocane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.24637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.25365 164.4
[M+Na]+ 319.23559 166.4
[M-H]- 295.23909 164.8
[M+NH4]+ 314.28019 169.7
[M+K]+ 335.20953 166.2
[M+H-H2O]+ 279.24363 159.6
[M+HCOO]- 341.24457 168.3
[M+CH3COO]- 355.26022 229.2
[M+Na-2H]- 317.22104 162.1
[M]+ 296.24582 160.3
[M]- 296.24692 160.3
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.