CID 2723949

Thioacetamide

Structural Information

Molecular Formula
C2H5NS
SMILES
CC(=S)N
InChI
InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
InChIKey
YUKQRDCYNOVPGJ-UHFFFAOYSA-N
Compound name
ethanethioamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2143
References

24636
Patents

75.01427 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.021546 111.7
[M+Na]+ 98.003488 121.5
[M+NH4]+ 93.048093 121.0
[M+K]+ 113.97743 114.9
[M-H]- 74.006994 112.4
[M+Na-2H]- 95.988936 115.6
[M]+ 75.013721 113.5
[M]- 75.014819 113.5
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