CID 215559

Brn 2270182

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06941 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07669 156.6
[M+Na]+ 278.05863 161.7
[M-H]- 254.06213 155.3
[M+NH4]+ 273.10323 174.2
[M+K]+ 294.03257 161.1
[M+H-H2O]+ 238.06667 148.3
[M+HCOO]- 300.06761 179.5
[M+CH3COO]- 314.08326 195.4
[M+Na-2H]- 276.04408 156.3
[M]+ 255.06886 164.2
[M]- 255.06996 164.2
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.