CID 12230

Ethyl methyl sulfide

Structural Information

Molecular Formula
C3H8S
SMILES
CCSC
InChI
InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3
InChIKey
WXEHBUMAEPOYKP-UHFFFAOYSA-N
Compound name
methylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

29
References

26326
Patents

76.03467 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.041946 110.3
[M+Na]+ 99.023888 118.9
[M-H]- 75.027394 111.5
[M+NH4]+ 94.068493 135.4
[M+K]+ 114.99783 118.7
[M+H-H2O]+ 59.031930 106.5
[M+HCOO]- 121.03287 129.6
[M+CH3COO]- 135.04852 162.3
[M+Na-2H]- 97.009336 115.3
[M]+ 76.034121 112.5
[M]- 76.035219 112.5
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