CID 72760

1,2-bis(3,5-dioxopiperazin-1-yl)ethane

Structural Information

Molecular Formula
C10H14N4O4
SMILES
C1C(=O)NC(=O)CN1CCN2CC(=O)NC(=O)C2
InChI
InChI=1S/C10H14N4O4/c15-7-3-13(4-8(16)11-7)1-2-14-5-9(17)12-10(18)6-14/h1-6H2,(H,11,15,16)(H,12,17,18)
InChIKey
GBLIGNUYGOFIKS-UHFFFAOYSA-N
Compound name
4-[2-(3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

309
Patents

254.1015 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10878 160.7
[M+Na]+ 277.09072 166.5
[M-H]- 253.09422 158.3
[M+NH4]+ 272.13532 170.3
[M+K]+ 293.06466 162.1
[M+H-H2O]+ 237.09876 151.4
[M+HCOO]- 299.09970 170.6
[M+CH3COO]- 313.11535 188.9
[M+Na-2H]- 275.07617 160.8
[M]+ 254.10095 152.7
[M]- 254.10205 152.7
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