CID 77394

Niagara 9205

Structural Information

Molecular Formula
C9H20NO3PS3
SMILES
CCOP(=S)(OCC)SCCSCC(=O)NC
InChI
InChI=1S/C9H20NO3PS3/c1-4-12-14(15,13-5-2)17-7-6-16-8-9(11)10-3/h4-8H2,1-3H3,(H,10,11)
InChIKey
HHNUWUVKGZCEAX-UHFFFAOYSA-N
Compound name
2-(2-diethoxyphosphinothioylsulfanylethylsulfanyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0343 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04158 164.3
[M+Na]+ 340.02352 167.7
[M-H]- 316.02702 161.3
[M+NH4]+ 335.06812 178.6
[M+K]+ 355.99746 162.2
[M+H-H2O]+ 300.03156 154.4
[M+HCOO]- 362.03250 174.8
[M+CH3COO]- 376.04815 205.9
[M+Na-2H]- 338.00897 161.1
[M]+ 317.03375 169.2
[M]- 317.03485 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.