CID 3034191

N-(aminothioxomethyl)propionamide

Structural Information

Molecular Formula
C4H8N2OS
SMILES
CCC(=O)NC(=S)N
InChI
InChI=1S/C4H8N2OS/c1-2-3(7)6-4(5)8/h2H2,1H3,(H3,5,6,7,8)
InChIKey
VVWCJSVUWOIXAD-UHFFFAOYSA-N
Compound name
N-carbamothioylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

68
Patents

132.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.043016 126.5
[M+Na]+ 155.024958 132.9
[M-H]- 131.028464 126.6
[M+NH4]+ 150.069563 147.9
[M+K]+ 170.998898 131.5
[M+H-H2O]+ 115.033000 121.1
[M+HCOO]- 177.033941 145.1
[M+CH3COO]- 191.049591 174.4
[M+Na-2H]- 153.010406 128.1
[M]+ 132.03519142 124.9
[M]- 132.03628858 124.9
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