CID 282263

Octahydro-1h-pyrido[1,2-a]piperazin-3-one hydrochloride

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1CCN2CC(=O)NCC2C1

InChI

InChI=1S/C8H14N2O/c11-8-6-10-4-2-1-3-7(10)5-9-8/h7H,1-6H2,(H,9,11)

InChIKey

CSBUPKXPDSKABE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 154.11061 Da
Monoisotopic Mass: 0.3
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]+	155.11789	134.3
[M+Na]+	177.09983	139.1
[M-H]-	153.10333	133.3
[M+NH4]+	172.14443	152.6
[M+K]+	193.07377	136.5
[M+H-H2O]+	137.10787	127.1
[M+HCOO]-	199.10881	148.0
[M+CH3COO]-	213.12446	172.6
[M+Na-2H]-	175.08528	139.8
[M]+	154.11006	125.7
[M]-	154.11116	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe