CID 19712

Stauffer r-5979

Structural Information

Molecular Formula
C6H14NO4PS3
SMILES
COP(=S)(OC)SCSCCOC(=O)N
InChI
InChI=1S/C6H14NO4PS3/c1-9-12(13,10-2)15-5-14-4-3-11-6(7)8/h3-5H2,1-2H3,(H2,7,8)
InChIKey
UVUWCTMVUUPDDF-UHFFFAOYSA-N
Compound name
2-(dimethoxyphosphinothioylsulfanylmethylsulfanyl)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.98227 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.98955 156.3
[M+Na]+ 313.97149 160.4
[M+NH4]+ 309.01609 161.7
[M+K]+ 329.94543 153.3
[M-H]- 289.97499 153.6
[M+Na-2H]- 311.95694 154.8
[M]+ 290.98172 156.9
[M]- 290.98282 156.9
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.