CID 2760628

Thiopropionamide

Structural Information

Molecular Formula
C3H7NS
SMILES
CCC(=S)N
InChI
InChI=1S/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKey
WPZSAUFQHYFIPG-UHFFFAOYSA-N
Compound name
propanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1736
Patents

89.02992 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.037196 116.0
[M+Na]+ 112.01914 125.6
[M+NH4]+ 107.06374 125.1
[M+K]+ 127.99308 118.7
[M-H]- 88.022644 116.6
[M+Na-2H]- 110.00459 119.6
[M]+ 89.029371 117.8
[M]- 89.030469 117.8
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