CID 11184058

334981-10-1

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)N

InChI

InChI=1S/C11H16N2O2S/c12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2

InChIKey

VNSKHALYBQZMFW-UHFFFAOYSA-N

Compound name

4-(pyrrolidin-1-ylsulfonylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 240.09325 Da
Monoisotopic Mass: 0.8
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]+	241.10053	153.0
[M+Na]+	263.08247	162.4
[M+NH4]+	258.12707	160.5
[M+K]+	279.05641	157.1
[M-H]-	239.08597	155.1
[M+Na-2H]-	261.06792	158.3
[M]+	240.09270	155.1
[M]-	240.09380	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe