CID 13321829

2-oxo-2-(1-pyrrolidinyl)ethyl n-(((methylamino)carbonyl)oxy)ethanimidothioate

Structural Information

Molecular Formula
C10H17N3O3S
SMILES
C/C(=N\OC(=O)NC)/SCC(=O)N1CCCC1
InChI
InChI=1S/C10H17N3O3S/c1-8(12-16-10(15)11-2)17-7-9(14)13-5-3-4-6-13/h3-7H2,1-2H3,(H,11,15)/b12-8+
InChIKey
BDBOSBZRIPXLSV-XYOKQWHBSA-N
Compound name
(2-oxo-2-pyrrolidin-1-ylethyl) (1E)-N-(methylcarbamoyloxy)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.09906 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10634 161.2
[M+Na]+ 282.08828 164.9
[M-H]- 258.09178 164.0
[M+NH4]+ 277.13288 178.6
[M+K]+ 298.06222 164.4
[M+H-H2O]+ 242.09632 153.6
[M+HCOO]- 304.09726 178.3
[M+CH3COO]- 318.11291 196.6
[M+Na-2H]- 280.07373 159.6
[M]+ 259.09851 162.3
[M]- 259.09961 162.3
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.