CID 215556

Brn 2270183

Structural Information

Molecular Formula
C8H18NO4PS
SMILES
CCOP(=O)(OCC)SCCC(=O)NC
InChI
InChI=1S/C8H18NO4PS/c1-4-12-14(11,13-5-2)15-7-6-8(10)9-3/h4-7H2,1-3H3,(H,9,10)
InChIKey
ZOUATHAPYATISN-UHFFFAOYSA-N
Compound name
3-diethoxyphosphorylsulfanyl-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06941 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07669 157.5
[M+Na]+ 278.05863 163.3
[M+NH4]+ 273.10323 162.5
[M+K]+ 294.03257 158.4
[M-H]- 254.06213 154.4
[M+Na-2H]- 276.04408 157.4
[M]+ 255.06886 157.4
[M]- 255.06996 157.4
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.