CID 215697

36090-27-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃S

SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C10H12N2O3S/c11-16(14,15)9-5-3-8(4-6-9)12-7-1-2-10(12)13/h3-6H,1-2,7H2,(H2,11,14,15)

InChIKey

LYEJSYHEDLGIFI-UHFFFAOYSA-N

Compound name

4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 11
Patents: 240.05687 Da
Monoisotopic Mass: -0.1
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]+	241.06415	151.3
[M+Na]+	263.04609	159.7
[M-H]-	239.04959	156.7
[M+NH4]+	258.09069	169.2
[M+K]+	279.02003	156.2
[M+H-H2O]+	223.05413	144.9
[M+HCOO]-	285.05507	168.5
[M+CH3COO]-	299.07072	187.7
[M+Na-2H]-	261.03154	153.0
[M]+	240.05632	150.5
[M]-	240.05742	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe