CID 3086726

Brn 4757091

Structural Information

Molecular Formula
C12H15NO5S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H15NO5S/c1-2-18-12-8-7-11(15)13(12)19(16,17)10-5-3-9(14)4-6-10/h3-6,12,14H,2,7-8H2,1H3
InChIKey
WYCLOXANJRCQET-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(4-hydroxyphenyl)sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

285.0671 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07438 161.9
[M+Na]+ 308.05632 170.2
[M-H]- 284.05982 166.5
[M+NH4]+ 303.10092 178.0
[M+K]+ 324.03026 167.1
[M+H-H2O]+ 268.06436 155.9
[M+HCOO]- 330.06530 177.0
[M+CH3COO]- 344.08095 192.4
[M+Na-2H]- 306.04177 162.5
[M]+ 285.06655 165.0
[M]- 285.06765 165.0
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