CID 51072205

1256642-93-9

Structural Information

Molecular Formula

C₈H₁₅N₃O

SMILES

CN1CCN2CCNCC2C1=O

InChI

InChI=1S/C8H15N3O/c1-10-4-5-11-3-2-9-6-7(11)8(10)12/h7,9H,2-6H2,1H3

InChIKey

AQERSHFVJCXUDR-UHFFFAOYSA-N

Compound name

2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 169.1215 Da
Monoisotopic Mass: -1.1
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]+	170.12878	140.1
[M+Na]+	192.11072	146.0
[M-H]-	168.11422	138.0
[M+NH4]+	187.15532	156.7
[M+K]+	208.08466	143.1
[M+H-H2O]+	152.11876	132.2
[M+HCOO]-	214.11970	152.4
[M+CH3COO]-	228.13535	176.7
[M+Na-2H]-	190.09617	144.8
[M]+	169.12095	132.4
[M]-	169.12205	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe