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
8
Annotation Hits

2161
References

29522
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 110.3
[M+Na]+ 98.003488 118.3
[M-H]- 74.006994 110.9
[M+NH4]+ 93.048093 134.5
[M+K]+ 113.97743 117.5
[M+H-H2O]+ 58.011530 106.0
[M+HCOO]- 120.01247 129.2
[M+CH3COO]- 134.02812 162.9
[M+Na-2H]- 95.988936 113.7
[M]+ 75.013721 108.8
[M]- 75.014819 108.8
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.