CID 3049922

Phosphonamidothioic acid, p-ethyl-n-(1-oxopropyl)-, 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]+ 210.071206 147.0
[M+Na]+ 232.053148 152.9
[M-H]- 208.056654 145.5
[M+NH4]+ 227.097753 166.3
[M+K]+ 248.027088 151.1
[M+H-H2O]+ 192.061190 139.3
[M+HCOO]- 254.062131 169.1
[M+CH3COO]- 268.077781 188.3
[M+Na-2H]- 230.038596 145.5
[M]+ 209.06338142 150.5
[M]- 209.06447858 150.5
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.