CID 50986488

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

Structural Information

Molecular Formula
C12H23N3O3
SMILES
CC(C)(C)OC(=O)NCC(=O)N1CCC(CC1)N
InChI
InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-8-10(16)15-6-4-9(13)5-7-15/h9H,4-8,13H2,1-3H3,(H,14,17)
InChIKey
HRYQVLSMFNNWBI-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.17395 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18123 162.1
[M+Na]+ 280.16317 165.0
[M-H]- 256.16667 162.8
[M+NH4]+ 275.20777 176.7
[M+K]+ 296.13711 164.4
[M+H-H2O]+ 240.17121 155.1
[M+HCOO]- 302.17215 179.0
[M+CH3COO]- 316.18780 198.6
[M+Na-2H]- 278.14862 163.3
[M]+ 257.17340 158.0
[M]- 257.17450 158.0
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

patents stripe