CID 540371

1,4-diacetyl-2,5-piperazinedione

Structural Information

Molecular Formula
C8H10N2O4
SMILES
CC(=O)N1CC(=O)N(CC1=O)C(=O)C
InChI
InChI=1S/C8H10N2O4/c1-5(11)9-3-8(14)10(6(2)12)4-7(9)13/h3-4H2,1-2H3
InChIKey
CBBKKVPJPRZOCM-UHFFFAOYSA-N
Compound name
1,4-diacetylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

779
Patents

198.06406 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 138.3
[M+Na]+ 221.05328 146.6
[M-H]- 197.05678 139.5
[M+NH4]+ 216.09788 155.1
[M+K]+ 237.02722 146.0
[M+H-H2O]+ 181.06132 131.9
[M+HCOO]- 243.06226 156.0
[M+CH3COO]- 257.07791 183.7
[M+Na-2H]- 219.03873 140.0
[M]+ 198.06351 137.5
[M]- 198.06461 137.5
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