CID 51072207

1009597-84-5

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CN1CC(=O)N2CCNCC2C1=O

InChI

InChI=1S/C8H13N3O2/c1-10-5-7(12)11-3-2-9-4-6(11)8(10)13/h6,9H,2-5H2,1H3

InChIKey

WKWGCEBRIXQAHA-UHFFFAOYSA-N

Compound name

2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10077 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.10805	141.9
[M+Na]+	206.08999	148.9
[M-H]-	182.09349	140.1
[M+NH4]+	201.13459	158.0
[M+K]+	222.06393	146.0
[M+H-H2O]+	166.09803	134.2
[M+HCOO]-	228.09897	154.5
[M+CH3COO]-	242.11462	179.3
[M+Na-2H]-	204.07544	145.9
[M]+	183.10022	135.3
[M]-	183.10132	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe