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
2
Annotation Hits

0
References

1394
Patents

133.01974 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.027016 125.6
[M+Na]+ 156.008958 132.8
[M-H]- 132.012464 125.9
[M+NH4]+ 151.053563 147.4
[M+K]+ 171.982898 132.1
[M+H-H2O]+ 116.017000 120.7
[M+HCOO]- 178.017941 143.6
[M+CH3COO]- 192.033591 171.5
[M+Na-2H]- 153.994406 127.0
[M]+ 133.01919142 126.3
[M]- 133.02028858 126.3
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