CID 3043810

2-(2,2-bis(methylthio)ethenyl)-1-methylpyridinium iodide

Structural Information

Molecular Formula
C10H14NS2
SMILES
C[N+]1=CC=CC=C1C=C(SC)SC
InChI
InChI=1S/C10H14NS2/c1-11-7-5-4-6-9(11)8-10(12-2)13-3/h4-8H,1-3H3/q+1
InChIKey
CFLIRCQDTJTIHE-UHFFFAOYSA-N
Compound name
2-[2,2-bis(methylsulfanyl)ethenyl]-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

212.05676 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06404 139.3
[M+Na]+ 235.04598 147.5
[M-H]- 211.04948 142.0
[M+NH4]+ 230.09058 157.6
[M+K]+ 251.01992 137.4
[M+H-H2O]+ 195.05402 135.8
[M+HCOO]- 257.05496 150.2
[M+CH3COO]- 271.07061 179.6
[M+Na-2H]- 233.03143 141.8
[M]+ 212.05621 140.2
[M]- 212.05731 140.2
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.