CID 272251

56595-84-7

Structural Information

Molecular Formula

C₁₁H₁₉NO₂S

SMILES

C1CCC2(CS(=O)(=O)C2C1)N3CCCC3

InChI

InChI=1S/C11H19NO2S/c13-15(14)9-11(12-7-3-4-8-12)6-2-1-5-10(11)15/h10H,1-9H2

InChIKey

RLYYJMGLABZEAL-UHFFFAOYSA-N

Compound name

1-pyrrolidin-1-yl-7lambda6-thiabicyclo[4.2.0]octane 7,7-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11365 Da
Monoisotopic Mass: 1.1
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]+	230.12093	144.9
[M+Na]+	252.10287	149.8
[M-H]-	228.10637	150.1
[M+NH4]+	247.14747	161.8
[M+K]+	268.07681	150.2
[M+H-H2O]+	212.11091	135.2
[M+HCOO]-	274.11185	156.5
[M+CH3COO]-	288.12750	187.2
[M+Na-2H]-	250.08832	147.4
[M]+	229.11310	150.9
[M]-	229.11420	150.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.