CID 12357958

2-methyl-octahydro-1h-[1,4]diazino[1,2-a]pyrazine trihydrochloride

Structural Information

Molecular Formula

C₈H₁₇N₃

SMILES

CN1CCN2CCNCC2C1

InChI

InChI=1S/C8H17N3/c1-10-4-5-11-3-2-9-6-8(11)7-10/h8-9H,2-7H2,1H3

InChIKey

COECZYAXFDJEEV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 155.14224 Da
Monoisotopic Mass: -0.5
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]+	156.149516	138.0
[M+Na]+	178.131458	142.6
[M-H]-	154.134964	135.4
[M+NH4]+	173.176063	154.9
[M+K]+	194.105398	139.9
[M+H-H2O]+	138.139500	129.8
[M+HCOO]-	200.140441	149.9
[M+CH3COO]-	214.156091	147.9
[M+Na-2H]-	176.116906	143.3
[M]+	155.14169142	129.1
[M]-	155.14278858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe