CID 3066888

Brn 4755492

Structural Information

Molecular Formula

C₁₃H₁₇NO₄S

SMILES

CCCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO4S/c1-2-10-18-13-9-8-12(15)14(13)19(16,17)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3

InChIKey

OOJIBZPCRJHTOG-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 283.08783 Da
Monoisotopic Mass: 1.8
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]+	284.09511	164.3
[M+Na]+	306.07705	174.3
[M+NH4]+	301.12165	170.7
[M+K]+	322.05099	169.1
[M-H]-	282.08055	165.1
[M+Na-2H]-	304.06250	168.6
[M]+	283.08728	166.2
[M]-	283.08838	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe