CID 207768

3-methyl-2-methylthio-2-thiazolinium iodide

Structural Information

Molecular Formula
C5H10NS2
SMILES
C[N+]1=C(SCC1)SC
InChI
InChI=1S/C5H10NS2/c1-6-3-4-8-5(6)7-2/h3-4H2,1-2H3/q+1
InChIKey
WCFSTYPUDOFQTL-UHFFFAOYSA-N
Compound name
3-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

148.02547 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03275 123.3
[M+Na]+ 171.01469 133.1
[M-H]- 147.01819 126.6
[M+NH4]+ 166.05929 146.1
[M+K]+ 186.98863 125.5
[M+H-H2O]+ 131.02273 121.0
[M+HCOO]- 193.02367 136.1
[M+CH3COO]- 207.03932 165.8
[M+Na-2H]- 169.00014 125.7
[M]+ 148.02492 123.4
[M]- 148.02602 123.4
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

patents stripe