CID 2733398

Ethyl thiooxamate

Structural Information

Molecular Formula
C4H7NO2S
SMILES
CCOC(=O)C(=S)N
InChI
InChI=1S/C4H7NO2S/c1-2-7-4(6)3(5)8/h2H2,1H3,(H2,5,8)
InChIKey
YMBMCMOZIGSBOA-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-sulfanylideneacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1202
Patents

133.01974 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.02702 127.1
[M+Na]+ 156.00896 135.2
[M+NH4]+ 151.05356 134.5
[M+K]+ 171.98290 129.9
[M-H]- 132.01246 126.1
[M+Na-2H]- 153.99441 129.1
[M]+ 133.01919 128.0
[M]- 133.02029 128.0
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