CID 71755553

2-ethyl-octahydroimidazolidino[1,5-a]piperazine-1,3-dione hydrochloride

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CCN1C(=O)C2CNCCN2C1=O
InChI
InChI=1S/C8H13N3O2/c1-2-10-7(12)6-5-9-3-4-11(6)8(10)13/h6,9H,2-5H2,1H3
InChIKey
SXPRZUFKMNJJGQ-UHFFFAOYSA-N
Compound name
2-ethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.10805 141.5
[M+Na]+ 206.08999 149.4
[M-H]- 182.09349 140.1
[M+NH4]+ 201.13459 159.6
[M+K]+ 222.06393 146.6
[M+H-H2O]+ 166.09803 134.3
[M+HCOO]- 228.09897 156.4
[M+CH3COO]- 242.11462 178.8
[M+Na-2H]- 204.07544 143.8
[M]+ 183.10022 137.1
[M]- 183.10132 137.1
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.