CID 3086699

111711-66-1

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=N2
InChI
InChI=1S/C11H14N2O4S/c1-2-17-11-7-6-10(14)13(11)18(15,16)9-5-3-4-8-12-9/h3-5,8,11H,2,6-7H2,1H3
InChIKey
QNLXHWZUFICEFG-UHFFFAOYSA-N
Compound name
5-ethoxy-1-pyridin-2-ylsulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0674 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.074676 159.0
[M+Na]+ 293.056618 167.8
[M-H]- 269.060124 163.6
[M+NH4]+ 288.101223 175.0
[M+K]+ 309.030558 165.0
[M+H-H2O]+ 253.064660 152.0
[M+HCOO]- 315.065601 174.6
[M+CH3COO]- 329.081251 191.2
[M+Na-2H]- 291.042066 160.7
[M]+ 270.06685142 162.2
[M]- 270.06794858 162.2
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.