CID 16787146

163460-75-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC=C2N

InChI

InChI=1S/C10H14N2O2S/c11-9-5-1-2-6-10(9)15(13,14)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2

InChIKey

AMFUKILZHOHKOZ-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 226.0776 Da
Monoisotopic Mass: 1.4
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	148.8
[M+Na]+	249.06682	156.4
[M-H]-	225.07032	153.9
[M+NH4]+	244.11142	167.3
[M+K]+	265.04076	152.9
[M+H-H2O]+	209.07486	142.3
[M+HCOO]-	271.07580	165.7
[M+CH3COO]-	285.09145	185.2
[M+Na-2H]-	247.05227	151.0
[M]+	226.07705	147.0
[M]-	226.07815	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe