CID 13728483

1-chloromethanesulfonylpyrrolidine

Structural Information

Molecular Formula

C₅H₁₀ClNO₂S

SMILES

C1CCN(C1)S(=O)(=O)CCl

InChI

InChI=1S/C5H10ClNO2S/c6-5-10(8,9)7-3-1-2-4-7/h1-5H2

InChIKey

WNUGGCKSNKHGNV-UHFFFAOYSA-N

Compound name

1-(chloromethylsulfonyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.01208 Da
Monoisotopic Mass: 0.7
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]+	184.019356	136.7
[M+Na]+	206.001298	145.4
[M-H]-	182.004804	139.1
[M+NH4]+	201.045903	158.3
[M+K]+	221.975238	142.7
[M+H-H2O]+	166.009340	132.2
[M+HCOO]-	228.010281	148.5
[M+CH3COO]-	242.025931	173.2
[M+Na-2H]-	203.986746	139.2
[M]+	183.01153142	138.4
[M]-	183.01262858	138.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.