CID 208246

31806-95-8

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

CN1CCN2C(C1)CCC3=CC=CC=C32

InChI

InChI=1S/C13H18N2/c1-14-8-9-15-12(10-14)7-6-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3

InChIKey

LIWQZQNOGRFOFH-UHFFFAOYSA-N

Compound name

3-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 202.147 Da
Monoisotopic Mass: 2.3
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]+	203.15428	147.3
[M+Na]+	225.13622	161.1
[M+NH4]+	220.18082	157.7
[M+K]+	241.11016	152.5
[M-H]-	201.13972	150.6
[M+Na-2H]-	223.12167	153.0
[M]+	202.14645	150.2
[M]-	202.14755	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe