CID 3086726

111711-93-4

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: 6
Patents: 285.0671 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.074376	161.9
[M+Na]+	308.056318	170.2
[M-H]-	284.059824	166.5
[M+NH4]+	303.100923	178.0
[M+K]+	324.030258	167.1
[M+H-H2O]+	268.064360	155.9
[M+HCOO]-	330.065301	177.0
[M+CH3COO]-	344.080951	192.4
[M+Na-2H]-	306.041766	162.5
[M]+	285.06655142	165.0
[M]-	285.06764858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe