CID 68087153

2137033-01-1

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

C1[C@@H]2CS(=O)(=O)C[C@@H]2CN1

InChI

InChI=1S/C6H11NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h5-7H,1-4H2/t5-,6+

InChIKey

UKZRVBJBOOMUNZ-OLQVQODUSA-N

Compound name

(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 161.05106 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]+	162.058336	132.5
[M+Na]+	184.040278	141.8
[M-H]-	160.043784	134.7
[M+NH4]+	179.084883	158.5
[M+K]+	200.014218	139.6
[M+H-H2O]+	144.048320	129.0
[M+HCOO]-	206.049261	148.0
[M+CH3COO]-	220.064911	168.3
[M+Na-2H]-	182.025726	134.5
[M]+	161.05051142	131.0
[M]-	161.05160858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe