CID 71756066

Tert-butyl 6,7-dioxo-octahydro-1h-pyrazino[1,2-a]piperazine-2-carboxylate

Structural Information

Molecular Formula
C12H19N3O4
SMILES
CC(C)(C)OC(=O)N1CCN2C(C1)CNC(=O)C2=O
InChI
InChI=1S/C12H19N3O4/c1-12(2,3)19-11(18)14-4-5-15-8(7-14)6-13-9(16)10(15)17/h8H,4-7H2,1-3H3,(H,13,16)
InChIKey
TYBJHKVZZXZMLQ-UHFFFAOYSA-N
Compound name
tert-butyl 6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.13754 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14482 164.2
[M+Na]+ 292.12676 169.8
[M-H]- 268.13026 162.3
[M+NH4]+ 287.17136 176.9
[M+K]+ 308.10070 167.6
[M+H-H2O]+ 252.13480 156.8
[M+HCOO]- 314.13574 173.5
[M+CH3COO]- 328.15139 194.3
[M+Na-2H]- 290.11221 166.4
[M]+ 269.13699 160.0
[M]- 269.13809 160.0
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

No patent data available for this compound.