CID 215554

Brn 2271250

Structural Information

Molecular Formula
C9H20NO4PS
SMILES
CCCOP(=O)(OCCC)SCC(=O)NC
InChI
InChI=1S/C9H20NO4PS/c1-4-6-13-15(12,14-7-5-2)16-8-9(11)10-3/h4-8H2,1-3H3,(H,10,11)
InChIKey
ANGMRJAAZAVZAB-UHFFFAOYSA-N
Compound name
2-dipropoxyphosphorylsulfanyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08505 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09233 161.2
[M+Na]+ 292.07427 165.9
[M-H]- 268.07777 159.7
[M+NH4]+ 287.11887 178.2
[M+K]+ 308.04821 165.0
[M+H-H2O]+ 252.08231 152.6
[M+HCOO]- 314.08325 183.8
[M+CH3COO]- 328.09890 198.4
[M+Na-2H]- 290.05972 160.4
[M]+ 269.08450 169.2
[M]- 269.08560 169.2
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.