CID 200587

Brn 1793590

Structural Information

Molecular Formula
C8H18NO3PS2
SMILES
CCOP(=S)(OCC)SCC(=O)N(C)C
InChI
InChI=1S/C8H18NO3PS2/c1-5-11-13(14,12-6-2)15-7-8(10)9(3)4/h5-7H2,1-4H3
InChIKey
LGFKFEXFCYPXQC-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioylsulfanyl-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04657 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05385 158.9
[M+Na]+ 294.03579 164.5
[M+NH4]+ 289.08039 164.9
[M+K]+ 310.00973 158.0
[M-H]- 270.03929 156.9
[M+Na-2H]- 292.02124 158.8
[M]+ 271.04602 159.6
[M]- 271.04712 159.6
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.