CID 117355

21535-56-8

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

C1CC2=CC=CC=C2N3C1CNCC3

InChI

InChI=1S/C12H16N2/c1-2-4-12-10(3-1)5-6-11-9-13-7-8-14(11)12/h1-4,11,13H,5-9H2

InChIKey

CHIINPDGHUONJZ-UHFFFAOYSA-N

Compound name

2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 150
Patents: 188.13135 Da
Monoisotopic Mass: 1.8
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]+	189.138626	141.4
[M+Na]+	211.120568	146.8
[M-H]-	187.124074	141.3
[M+NH4]+	206.165173	159.3
[M+K]+	227.094508	142.0
[M+H-H2O]+	171.128610	133.3
[M+HCOO]-	233.129551	154.7
[M+CH3COO]-	247.145201	151.7
[M+Na-2H]-	209.106016	149.1
[M]+	188.13080142	133.6
[M]-	188.13189858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe