CID 214732

Brn 1793589

Structural Information

Molecular Formula
C8H18NO4PS
SMILES
CCOP(=O)(OCC)SCC(=O)N(C)C
InChI
InChI=1S/C8H18NO4PS/c1-5-12-14(11,13-6-2)15-7-8(10)9(3)4/h5-7H2,1-4H3
InChIKey
AJTMDWQLMRDRHE-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylsulfanyl-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06941 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07669 155.9
[M+Na]+ 278.05863 161.3
[M-H]- 254.06213 156.3
[M+NH4]+ 273.10323 174.2
[M+K]+ 294.03257 162.1
[M+H-H2O]+ 238.06667 147.5
[M+HCOO]- 300.06761 179.3
[M+CH3COO]- 314.08326 198.8
[M+Na-2H]- 276.04408 155.0
[M]+ 255.06886 164.9
[M]- 255.06996 164.9
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.