CID 74499

Trimethylsulfoxonium iodide

Structural Information

Molecular Formula
C3H9OS
SMILES
C[S+](=O)(C)C
InChI
InChI=1S/C3H9OS/c1-5(2,3)4/h1-3H3/q+1
InChIKey
YRYSAWZMIRQUBO-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

14166
Patents

93.037415 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.044691 111.7
[M+Na]+ 116.02663 120.9
[M-H]- 92.030139 113.5
[M+NH4]+ 111.07124 135.9
[M+K]+ 132.00057 115.5
[M+H-H2O]+ 76.034675 111.1
[M+HCOO]- 138.03562 129.8
[M+CH3COO]- 152.05127 156.9
[M+Na-2H]- 114.01208 119.7
[M]+ 93.036866 112.7
[M]- 93.037964 112.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe