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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 146.4
[M+Na]+ 225.13622 152.6
[M-H]- 201.13972 147.7
[M+NH4]+ 220.18082 164.7
[M+K]+ 241.11016 148.4
[M+H-H2O]+ 185.14426 137.8
[M+HCOO]- 247.14520 160.7
[M+CH3COO]- 261.16085 157.2
[M+Na-2H]- 223.12167 153.0
[M]+ 202.14645 141.0
[M]- 202.14755 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