CID 2041781

3-amino-3-thioxopropanamide

Structural Information

Molecular Formula
C3H6N2OS
SMILES
C(C(=O)N)C(=S)N
InChI
InChI=1S/C3H6N2OS/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChIKey
RZZJZGZPXBMZGL-UHFFFAOYSA-N
Compound name
3-amino-3-sulfanylidenepropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

118.02008 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02736 122.8
[M+Na]+ 141.00930 129.9
[M+NH4]+ 136.05390 130.2
[M+K]+ 156.98324 125.0
[M-H]- 117.01280 122.3
[M+Na-2H]- 138.99475 124.7
[M]+ 118.01953 123.6
[M]- 118.02063 123.6
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