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

7
Patents

202.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 146.4
[M+Na]+ 225.136218 152.6
[M-H]- 201.139724 147.7
[M+NH4]+ 220.180823 164.7
[M+K]+ 241.110158 148.4
[M+H-H2O]+ 185.144260 137.8
[M+HCOO]- 247.145201 160.7
[M+CH3COO]- 261.160851 157.2
[M+Na-2H]- 223.121666 153.0
[M]+ 202.14645142 141.0
[M]- 202.14754858 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe