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 152.4
[M+Na]+ 259.09725 166.9
[M+NH4]+ 254.14185 162.7
[M+K]+ 275.07119 158.0
[M-H]- 235.10075 155.4
[M+Na-2H]- 257.08270 157.4
[M]+ 236.10748 155.7
[M]- 236.10858 155.7
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.