CID 69163615

N-(4-piperidinyl)-2-(boc-amino)acetamide

Structural Information

Molecular Formula
C12H23N3O3
SMILES
CC(C)(C)OC(=O)NCC(=O)NC1CCNCC1
InChI
InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-8-10(16)15-9-4-6-13-7-5-9/h9,13H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
ZFSTVTOBMWVLER-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-oxo-2-(piperidin-4-ylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

257.17395 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18123 162.0
[M+Na]+ 280.16317 163.5
[M-H]- 256.16667 161.4
[M+NH4]+ 275.20777 175.9
[M+K]+ 296.13711 162.4
[M+H-H2O]+ 240.17121 154.9
[M+HCOO]- 302.17215 178.0
[M+CH3COO]- 316.18780 195.5
[M+Na-2H]- 278.14862 164.5
[M]+ 257.17340 156.7
[M]- 257.17450 156.7
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