CID 4935497

Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate

Structural Information

Molecular Formula
C13H22N2O5
SMILES
CCOC(=O)CC1C(=O)NCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C13H22N2O5/c1-5-19-10(16)8-9-11(17)14-6-7-15(9)12(18)20-13(2,3)4/h9H,5-8H2,1-4H3,(H,14,17)
InChIKey
NJHZZPIDXJKZKV-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

286.15286 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16014 166.6
[M+Na]+ 309.14208 171.4
[M-H]- 285.14558 165.4
[M+NH4]+ 304.18668 179.1
[M+K]+ 325.11602 170.6
[M+H-H2O]+ 269.15012 159.8
[M+HCOO]- 331.15106 179.6
[M+CH3COO]- 345.16671 197.0
[M+Na-2H]- 307.12753 167.0
[M]+ 286.15231 166.8
[M]- 286.15341 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe