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

926
Patents

198.06406 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.071336 138.3
[M+Na]+ 221.053278 146.6
[M-H]- 197.056784 139.5
[M+NH4]+ 216.097883 155.1
[M+K]+ 237.027218 146.0
[M+H-H2O]+ 181.061320 131.9
[M+HCOO]- 243.062261 156.0
[M+CH3COO]- 257.077911 183.7
[M+Na-2H]- 219.038726 140.0
[M]+ 198.06351142 137.5
[M]- 198.06460858 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