CID 3032339

O-ethyl carbamothioate

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

8015
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 118.4
[M+Na]+ 128.01405 126.0
[M-H]- 104.01755 118.8
[M+NH4]+ 123.05865 141.4
[M+K]+ 143.98799 125.3
[M+H-H2O]+ 88.022090 113.7
[M+HCOO]- 150.02303 137.2
[M+CH3COO]- 164.03868 167.2
[M+Na-2H]- 125.99950 121.3
[M]+ 105.02428 118.7
[M]- 105.02538 118.7
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