CID 3049922

P-ethyl-n-(1-oxopropyl)phosphonamidothioic acid s-ethyl ester

Structural Information

Molecular Formula
C7H16NO2PS
SMILES
CCCCC(=O)P(=O)(N)SCC
InChI
InChI=1S/C7H16NO2PS/c1-3-5-6-7(9)11(8,10)12-4-2/h3-6H2,1-2H3,(H2,8,10)
InChIKey
WPQKAWYSSDBYIJ-UHFFFAOYSA-N
Compound name
1-[amino(ethylsulfanyl)phosphoryl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06393 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07121 147.5
[M+Na]+ 232.05315 154.2
[M+NH4]+ 227.09775 153.7
[M+K]+ 248.02709 148.7
[M-H]- 208.05665 145.4
[M+Na-2H]- 230.03860 148.1
[M]+ 209.06338 147.9
[M]- 209.06448 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.