CID 50986499

1305711-15-2

Structural Information

Molecular Formula
C13H25N3O3
SMILES
CC(C)(C)OC(=O)NCCC(=O)N1CCC(CC1)N
InChI
InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)15-7-4-11(17)16-8-5-10(14)6-9-16/h10H,4-9,14H2,1-3H3,(H,15,18)
InChIKey
JRDSNXLRRQDQDM-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1896 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.19688 166.5
[M+Na]+ 294.17882 169.0
[M-H]- 270.18232 167.1
[M+NH4]+ 289.22342 180.6
[M+K]+ 310.15276 168.2
[M+H-H2O]+ 254.18686 159.4
[M+HCOO]- 316.18780 183.1
[M+CH3COO]- 330.20345 201.6
[M+Na-2H]- 292.16427 167.2
[M]+ 271.18905 162.8
[M]- 271.19015 162.8
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.