CID 3056979

73927-18-1

Structural Information

Molecular Formula
C5H13OS
SMILES
CC[S+](C)CCO
InChI
InChI=1S/C5H13OS/c1-3-7(2)5-4-6/h6H,3-5H2,1-2H3/q+1
InChIKey
SDOZOXGFOVACJA-UHFFFAOYSA-N
Compound name
ethyl-(2-hydroxyethyl)-methylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

121.06871 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07599 121.0
[M+Na]+ 144.05793 132.8
[M+NH4]+ 139.10253 131.0
[M+K]+ 160.03187 126.5
[M-H]- 120.06143 122.5
[M+Na-2H]- 142.04338 125.2
[M]+ 121.06816 123.8
[M]- 121.06926 123.8
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.