CID 100618419

1820579-87-0

Structural Information

Molecular Formula
C15H27N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)[C@H]2[C@@H](CCC(=O)N2)N
InChI
InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-6-10(7-9-18)13-11(16)4-5-12(19)17-13/h10-11,13H,4-9,16H2,1-3H3,(H,17,19)/t11-,13+/m1/s1
InChIKey
AADBRYTVUFZUSW-YPMHNXCESA-N
Compound name
tert-butyl 4-[(2S,3R)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20523 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21251 174.8
[M+Na]+ 320.19445 177.1
[M-H]- 296.19795 175.4
[M+NH4]+ 315.23905 186.0
[M+K]+ 336.16839 174.3
[M+H-H2O]+ 280.20249 166.8
[M+HCOO]- 342.20343 184.8
[M+CH3COO]- 356.21908 202.2
[M+Na-2H]- 318.17990 173.1
[M]+ 297.20468 166.0
[M]- 297.20578 166.0
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.