CID 61171

S-ethyl ethanethioate

Structural Information

Molecular Formula
C4H8OS
SMILES
CCSC(=O)C
InChI
InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey
APTGPWJUOYMUCE-UHFFFAOYSA-N
Compound name
S-ethyl ethanethioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

1583
Patents

104.02959 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 120.1
[M+Na]+ 127.01881 130.6
[M+NH4]+ 122.06341 129.2
[M+K]+ 142.99275 123.4
[M-H]- 103.02231 120.2
[M+Na-2H]- 125.00426 123.7
[M]+ 104.02904 122.0
[M]- 104.03014 122.0
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