CID 3032339

O-ethyl thiocarbamate

Structural Information

Molecular Formula
C3H7NOS
SMILES
CCOC(=S)N
InChI
InChI=1S/C3H7NOS/c1-2-5-3(4)6/h2H2,1H3,(H2,4,6)
InChIKey
PWZUZQNZVZKCBI-UHFFFAOYSA-N
Compound name
O-ethyl carbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

4380
Patents

105.02483 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.03211 119.4
[M+Na]+ 128.01405 128.5
[M+NH4]+ 123.05865 127.9
[M+K]+ 143.98799 122.2
[M-H]- 104.01755 119.4
[M+Na-2H]- 125.99950 122.5
[M]+ 105.02428 120.9
[M]- 105.02538 120.9
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