CID 3066886

111711-48-9

Structural Information

Molecular Formula
C12H14N2O6S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H14N2O6S/c1-2-20-12-8-7-11(15)13(12)21(18,19)10-5-3-9(4-6-10)14(16)17/h3-6,12H,2,7-8H2,1H3
InChIKey
JRUPWSVHCWERNT-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(4-nitrophenyl)sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

314.05725 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06453 165.1
[M+Na]+ 337.04647 174.9
[M+NH4]+ 332.09107 170.4
[M+K]+ 353.02041 174.0
[M-H]- 313.04997 166.3
[M+Na-2H]- 335.03192 168.6
[M]+ 314.05670 166.8
[M]- 314.05780 166.8
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

patents stripe