CID 52615

73825-55-5

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CCC(CC)N1CCCS1(=O)=O

InChI

InChI=1S/C8H17NO2S/c1-3-8(4-2)9-6-5-7-12(9,10)11/h8H,3-7H2,1-2H3

InChIKey

BTEJLJKXIHVFBE-UHFFFAOYSA-N

Compound name

2-pentan-3-yl-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.098 Da
Monoisotopic Mass: 1.5
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]+	192.10528	143.5
[M+Na]+	214.08722	152.1
[M+NH4]+	209.13182	152.4
[M+K]+	230.06116	145.2
[M-H]-	190.09072	143.2
[M+Na-2H]-	212.07267	147.1
[M]+	191.09745	144.9
[M]-	191.09855	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.