CID 71755450

Octahydro-1h-pyrazino[1,2-a]piperazine-3,4-dione hydrochloride

Structural Information

Molecular Formula
C7H11N3O2
SMILES
C1CN2C(CN1)CNC(=O)C2=O
InChI
InChI=1S/C7H11N3O2/c11-6-7(12)10-2-1-8-3-5(10)4-9-6/h5,8H,1-4H2,(H,9,11)
InChIKey
QHOJQVUKHJTEGG-UHFFFAOYSA-N
Compound name
2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.08513 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 138.0
[M+Na]+ 192.07435 144.1
[M-H]- 168.07785 134.6
[M+NH4]+ 187.11895 153.6
[M+K]+ 208.04829 140.5
[M+H-H2O]+ 152.08239 130.5
[M+HCOO]- 214.08333 149.5
[M+CH3COO]- 228.09898 172.6
[M+Na-2H]- 190.05980 142.7
[M]+ 169.08458 128.9
[M]- 169.08568 128.9
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.