CID 70222

926-28-3

Structural Information

Molecular Formula
C9H20NO3PS3
SMILES
CC(C)(C(=O)NC)SCCSP(=S)(OC)OC
InChI
InChI=1S/C9H20NO3PS3/c1-9(2,8(11)10-3)16-6-7-17-14(15,12-4)13-5/h6-7H2,1-5H3,(H,10,11)
InChIKey
HOZLUVSXSVHWBE-UHFFFAOYSA-N
Compound name
2-(2-dimethoxyphosphinothioylsulfanylethylsulfanyl)-N,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0343 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04158 168.3
[M+Na]+ 340.02352 172.3
[M+NH4]+ 335.06812 173.7
[M+K]+ 355.99746 164.8
[M-H]- 316.02702 165.5
[M+Na-2H]- 338.00897 166.9
[M]+ 317.03375 169.0
[M]- 317.03485 169.0
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.