CID 62389724

2251054-00-7

Structural Information

Molecular Formula

C₇H₁₃NO₂S

SMILES

C1CS(=O)(=O)CCC12CC2N

InChI

InChI=1S/C7H13NO2S/c8-6-5-7(6)1-3-11(9,10)4-2-7/h6H,1-5,8H2

InChIKey

UIDONUXHTFQLIQ-UHFFFAOYSA-N

Compound name

6,6-dioxo-6lambda6-thiaspiro[2.5]octan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.0667 Da
Monoisotopic Mass: -0.5
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]+	176.07398	138.7
[M+Na]+	198.05592	149.6
[M+NH4]+	193.10052	150.7
[M+K]+	214.02986	140.7
[M-H]-	174.05942	148.2
[M+Na-2H]-	196.04137	148.5
[M]+	175.06615	144.6
[M]-	175.06725	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.