CID 71756066

1384699-68-6

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]+ 270.144816 164.2
[M+Na]+ 292.126758 169.8
[M-H]- 268.130264 162.3
[M+NH4]+ 287.171363 176.9
[M+K]+ 308.100698 167.6
[M+H-H2O]+ 252.134800 156.8
[M+HCOO]- 314.135741 173.5
[M+CH3COO]- 328.151391 194.3
[M+Na-2H]- 290.112206 166.4
[M]+ 269.13699142 160.0
[M]- 269.13808858 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.