CID 6912216

1-methyl-2-(2-(methylthio)-2-(4-morpholinyl)ethenyl)pyridinium iodide

Structural Information

Molecular Formula
C13H19N2OS
SMILES
C[N+]1=CC=CC=C1/C=C(/N2CCOCC2)\SC
InChI
InChI=1S/C13H19N2OS/c1-14-6-4-3-5-12(14)11-13(17-2)15-7-9-16-10-8-15/h3-6,11H,7-10H2,1-2H3/q+1
InChIKey
JZKWRYONYFYRSK-UHFFFAOYSA-N
Compound name
4-[(Z)-2-(1-methylpyridin-1-ium-2-yl)-1-methylsulfanylethenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.12181 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12909 156.5
[M+Na]+ 274.11103 161.8
[M-H]- 250.11453 160.6
[M+NH4]+ 269.15563 169.7
[M+K]+ 290.08497 153.6
[M+H-H2O]+ 234.11907 150.8
[M+HCOO]- 296.12001 167.7
[M+CH3COO]- 310.13566 185.0
[M+Na-2H]- 272.09648 160.3
[M]+ 251.12126 153.6
[M]- 251.12236 153.6
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.