CID 165880108

Tert-butyl 3-(5-aminopentyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H30N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCCCCN
InChI
InChI=1S/C15H30N2O2/c1-15(2,3)19-14(18)17-11-7-9-13(12-17)8-5-4-6-10-16/h13H,4-12,16H2,1-3H3
InChIKey
DGVVNVZZFXCSNN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5-aminopentyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.23074 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.238016 170.8
[M+Na]+ 293.219958 173.3
[M-H]- 269.223464 170.9
[M+NH4]+ 288.264563 185.5
[M+K]+ 309.193898 171.5
[M+H-H2O]+ 253.228000 163.6
[M+HCOO]- 315.228941 186.2
[M+CH3COO]- 329.244591 201.0
[M+Na-2H]- 291.205406 171.0
[M]+ 270.23019142 168.6
[M]- 270.23128858 168.6
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