CID 138987695

Rac-tert-butyl n-{[(3r,5r)-5-tert-butylpiperidin-3-yl]methyl}carbamate

Structural Information

Molecular Formula
C15H30N2O2
SMILES
CC(C)(C)[C@@H]1C[C@@H](CNC1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C15H30N2O2/c1-14(2,3)12-7-11(8-16-10-12)9-17-13(18)19-15(4,5)6/h11-12,16H,7-10H2,1-6H3,(H,17,18)/t11-,12+/m0/s1
InChIKey
KBZLSHIPCFHITN-NWDGAFQWSA-N
Compound name
tert-butyl N-[[(3S,5S)-5-tert-butylpiperidin-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.23074 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.238016 169.9
[M+Na]+ 293.219958 172.5
[M-H]- 269.223464 169.5
[M+NH4]+ 288.264563 184.3
[M+K]+ 309.193898 170.7
[M+H-H2O]+ 253.228000 163.8
[M+HCOO]- 315.228941 182.9
[M+CH3COO]- 329.244591 198.9
[M+Na-2H]- 291.205406 171.8
[M]+ 270.23019142 166.3
[M]- 270.23128858 166.3
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.