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 122.5
[M+Na]+ 144.05793 129.4
[M-H]- 120.06143 122.1
[M+NH4]+ 139.10253 144.6
[M+K]+ 160.03187 123.2
[M+H-H2O]+ 104.06597 121.1
[M+HCOO]- 166.06691 138.6
[M+CH3COO]- 180.08256 161.7
[M+Na-2H]- 142.04338 127.0
[M]+ 121.06816 122.8
[M]- 121.06926 122.8
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.