CID 114426916

1594612-08-4

Structural Information

Molecular Formula
C13H17ClN2
SMILES
CC1CCN2C(C1)CNC3=C2C(=CC=C3)Cl
InChI
InChI=1S/C13H17ClN2/c1-9-5-6-16-10(7-9)8-15-12-4-2-3-11(14)13(12)16/h2-4,9-10,15H,5-8H2,1H3
InChIKey
CNOSMZVKRZCRLK-UHFFFAOYSA-N
Compound name
1-chloro-8-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10803 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11531 153.3
[M+Na]+ 259.09725 160.8
[M-H]- 235.10075 153.3
[M+NH4]+ 254.14185 170.7
[M+K]+ 275.07119 154.2
[M+H-H2O]+ 219.10529 145.8
[M+HCOO]- 281.10623 161.5
[M+CH3COO]- 295.12188 163.4
[M+Na-2H]- 257.08270 158.2
[M]+ 236.10748 148.6
[M]- 236.10858 148.6
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

No patent data available for this compound.