CID 45122044

2197416-30-9

Structural Information

Molecular Formula

C₇H₁₃N₃O

SMILES

C1CN2CCNC(=O)C2CN1

InChI

InChI=1S/C7H13N3O/c11-7-6-5-8-1-3-10(6)4-2-9-7/h6,8H,1-5H2,(H,9,11)

InChIKey

UUUPNGVYOIXAAC-UHFFFAOYSA-N

Compound name

2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 155.10587 Da
Monoisotopic Mass: -1.2
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]+	156.11315	135.9
[M+Na]+	178.09509	140.9
[M-H]-	154.09859	132.2
[M+NH4]+	173.13969	152.0
[M+K]+	194.06903	137.4
[M+H-H2O]+	138.10313	128.2
[M+HCOO]-	200.10407	147.1
[M+CH3COO]-	214.11972	145.5
[M+Na-2H]-	176.08054	141.4
[M]+	155.10532	125.7
[M]-	155.10642	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe