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 166.9
[M+Na]+ 340.02352 170.4
[M-H]- 316.02702 164.0
[M+NH4]+ 335.06812 181.3
[M+K]+ 355.99746 165.5
[M+H-H2O]+ 300.03156 157.4
[M+HCOO]- 362.03250 176.1
[M+CH3COO]- 376.04815 206.3
[M+Na-2H]- 338.00897 164.9
[M]+ 317.03375 171.3
[M]- 317.03485 171.3
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.