CID 10484

Thioacetic acid

Structural Information

Molecular Formula
C2H4OS
SMILES
CC(=O)S
InChI
InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
InChIKey
DUYAAUVXQSMXQP-UHFFFAOYSA-N
Compound name
ethanethioic S-acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

137
References

31355
Patents

75.99828 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.005556 111.3
[M+Na]+ 98.987498 122.2
[M+NH4]+ 94.032103 120.7
[M+K]+ 114.96144 115.5
[M-H]- 74.991004 111.5
[M+Na-2H]- 96.972946 115.4
[M]+ 75.997731 113.3
[M]- 75.998829 113.3
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