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]+ 260.106336 161.2
[M+Na]+ 282.088278 164.9
[M-H]- 258.091784 164.0
[M+NH4]+ 277.132883 178.6
[M+K]+ 298.062218 164.4
[M+H-H2O]+ 242.096320 153.6
[M+HCOO]- 304.097261 178.3
[M+CH3COO]- 318.112911 196.6
[M+Na-2H]- 280.073726 159.6
[M]+ 259.09851142 162.3
[M]- 259.09960858 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.