CID 50988955

Tert-butyl n-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-n-methylcarbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1896 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.19688 165.8
[M+Na]+ 294.17882 168.4
[M-H]- 270.18232 167.8
[M+NH4]+ 289.22342 180.5
[M+K]+ 310.15276 169.1
[M+H-H2O]+ 254.18686 158.6
[M+HCOO]- 316.18780 182.9
[M+CH3COO]- 330.20345 205.0
[M+Na-2H]- 292.16427 165.9
[M]+ 271.18905 163.4
[M]- 271.19015 163.4
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.