CID 183090

1-benzenesulphonyl-2-oxo-5-ethoxypyrrolidine

Structural Information

Molecular Formula
C12H15NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO4S/c1-2-17-12-9-8-11(14)13(12)18(15,16)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKey
UBENQCMMIVLOTJ-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-ethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

269.07217 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 159.2
[M+Na]+ 292.06139 167.5
[M-H]- 268.06489 165.0
[M+NH4]+ 287.10599 176.6
[M+K]+ 308.03533 164.7
[M+H-H2O]+ 252.06943 152.8
[M+HCOO]- 314.07037 175.7
[M+CH3COO]- 328.08602 191.5
[M+Na-2H]- 290.04684 160.5
[M]+ 269.07162 162.4
[M]- 269.07272 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe