CID 535805

88327-91-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H14N2O2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2

InChIKey

JTIWXDLCUZTDFM-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 262
Patents: 226.0776 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]+	227.08488	148.7
[M+Na]+	249.06682	158.3
[M+NH4]+	244.11142	156.4
[M+K]+	265.04076	153.3
[M-H]-	225.07032	150.8
[M+Na-2H]-	247.05227	154.2
[M]+	226.07705	150.9
[M]-	226.07815	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe