CID 51072206

1256642-92-8

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

C1CN2C(CN1)C(=O)NCC2=O

InChI

InChI=1S/C7H11N3O2/c11-6-4-9-7(12)5-3-8-1-2-10(5)6/h5,8H,1-4H2,(H,9,12)

InChIKey

DPVSPOJGBBOZGB-UHFFFAOYSA-N

Compound name

3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 169.08513 Da
Monoisotopic Mass: -1.7
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]+	170.09241	138.0
[M+Na]+	192.07435	144.1
[M-H]-	168.07785	134.6
[M+NH4]+	187.11895	153.6
[M+K]+	208.04829	140.5
[M+H-H2O]+	152.08239	130.5
[M+HCOO]-	214.08333	149.5
[M+CH3COO]-	228.09898	172.6
[M+Na-2H]-	190.05980	142.7
[M]+	169.08458	128.9
[M]-	169.08568	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe