CID 3086698

111711-65-0

Structural Information

Molecular Formula
C10H13NO5S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CO2
InChI
InChI=1S/C10H13NO5S/c1-2-15-9-6-5-8(12)11(9)17(13,14)10-4-3-7-16-10/h3-4,7,9H,2,5-6H2,1H3
InChIKey
YMJFSVPPSKSRHW-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(furan-2-ylsulfonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.05145 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.058726 155.0
[M+Na]+ 282.040668 164.1
[M-H]- 258.044174 162.0
[M+NH4]+ 277.085273 173.4
[M+K]+ 298.014608 163.8
[M+H-H2O]+ 242.048710 150.3
[M+HCOO]- 304.049651 172.5
[M+CH3COO]- 318.065301 188.0
[M+Na-2H]- 280.026116 156.1
[M]+ 259.05090142 160.4
[M]- 259.05199858 160.4
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.