CID 3086698

Brn 4753303

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]+ 260.05873 156.5
[M+Na]+ 282.04067 165.0
[M+NH4]+ 277.08527 162.5
[M+K]+ 298.01461 163.7
[M-H]- 258.04417 157.3
[M+Na-2H]- 280.02612 158.7
[M]+ 259.05090 158.1
[M]- 259.05200 158.1
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.