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

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]+	237.115306	153.3
[M+Na]+	259.097248	160.8
[M-H]-	235.100754	153.3
[M+NH4]+	254.141853	170.7
[M+K]+	275.071188	154.2
[M+H-H2O]+	219.105290	145.8
[M+HCOO]-	281.106231	161.5
[M+CH3COO]-	295.121881	163.4
[M+Na-2H]-	257.082696	158.2
[M]+	236.10748142	148.6
[M]-	236.10857858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.