CID 215548

Brn 2271272

Structural Information

Molecular Formula
C9H20NO4PS
SMILES
CCOP(=O)(OCC)SCC(=O)NC(C)C
InChI
InChI=1S/C9H20NO4PS/c1-5-13-15(12,14-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)
InChIKey
APKOEEKMDHDOLF-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylsulfanyl-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08505 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09233 161.6
[M+Na]+ 292.07427 166.9
[M+NH4]+ 287.11887 166.3
[M+K]+ 308.04821 162.6
[M-H]- 268.07777 158.3
[M+Na-2H]- 290.05972 161.0
[M]+ 269.08450 161.3
[M]- 269.08560 161.3
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.