CID 3051205

Hercules-13462

Structural Information

Molecular Formula
C8H14NO4PS2
SMILES
CC(N1CC(=O)C(=O)C1)SP(=S)(OC)OC
InChI
InChI=1S/C8H14NO4PS2/c1-6(16-14(15,12-2)13-3)9-4-7(10)8(11)5-9/h6H,4-5H2,1-3H3
InChIKey
COQPDVSXTCXUNW-UHFFFAOYSA-N
Compound name
1-(1-dimethoxyphosphinothioylsulfanylethyl)pyrrolidine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0102 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.01748 155.5
[M+Na]+ 305.99942 162.4
[M-H]- 282.00292 156.4
[M+NH4]+ 301.04402 173.0
[M+K]+ 321.97336 160.5
[M+H-H2O]+ 266.00746 147.7
[M+HCOO]- 328.00840 170.7
[M+CH3COO]- 342.02405 196.0
[M+Na-2H]- 303.98487 151.1
[M]+ 283.00965 160.6
[M]- 283.01075 160.6
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.