CID 9588585

81861-91-8

Structural Information

Molecular Formula
C11H20N2O6S2
SMILES
C/C(=N\OC(=O)N(C)S(=O)OCC1COC(O1)(C)C)/SC
InChI
InChI=1S/C11H20N2O6S2/c1-8(20-5)12-19-10(14)13(4)21(15)17-7-9-6-16-11(2,3)18-9/h9H,6-7H2,1-5H3/b12-8+
InChIKey
DRSWNYJHCCQTRL-XYOKQWHBSA-N
Compound name
methyl (1E)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxysulfinyl-methylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0763 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08358 176.1
[M+Na]+ 363.06552 180.1
[M-H]- 339.06902 182.3
[M+NH4]+ 358.11012 191.5
[M+K]+ 379.03946 182.8
[M+H-H2O]+ 323.07356 170.8
[M+HCOO]- 385.07450 187.6
[M+CH3COO]- 399.09015 212.9
[M+Na-2H]- 361.05097 176.3
[M]+ 340.07575 185.0
[M]- 340.07685 185.0
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.