CID 6428987

3-methyl-octahydropyrrolo[1,2-a]piperazine-1,4-dione

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CC1C(=O)N2CCCC2C(=O)N1
InChI
InChI=1S/C8H12N2O2/c1-5-8(12)10-4-2-3-6(10)7(11)9-5/h5-6H,2-4H2,1H3,(H,9,11)
InChIKey
WSLYCILIEOFQPK-UHFFFAOYSA-N
Compound name
3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

168.08987 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 136.2
[M+Na]+ 191.079088 144.2
[M-H]- 167.082594 136.4
[M+NH4]+ 186.123693 156.4
[M+K]+ 207.053028 141.4
[M+H-H2O]+ 151.087130 130.1
[M+HCOO]- 213.088071 152.5
[M+CH3COO]- 227.103721 175.8
[M+Na-2H]- 189.064536 138.8
[M]+ 168.08932142 131.3
[M]- 168.09041858 131.3
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