CID 21103719

849160-51-6

Structural Information

Molecular Formula
C15H29N3O4
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-10-7-11(9-16-8-10)18-13(20)22-15(4,5)6/h10-11,16H,7-9H2,1-6H3,(H,17,19)(H,18,20)/t10-,11+
InChIKey
IFULEBNOBLLOKS-PHIMTYICSA-N
Compound name
tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

315.21582 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22310 176.9
[M+Na]+ 338.20504 178.4
[M-H]- 314.20854 176.5
[M+NH4]+ 333.24964 188.9
[M+K]+ 354.17898 178.1
[M+H-H2O]+ 298.21308 170.3
[M+HCOO]- 360.21402 190.6
[M+CH3COO]- 374.22967 207.2
[M+Na-2H]- 336.19049 178.7
[M]+ 315.21527 173.9
[M]- 315.21637 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe