CID 72208125

2137836-62-3

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

C1C(CC12CS(=O)(=O)C2)N

InChI

InChI=1S/C6H11NO2S/c7-5-1-6(2-5)3-10(8,9)4-6/h5H,1-4,7H2

InChIKey

ISJRKZAXSIGKLL-UHFFFAOYSA-N

Compound name

2,2-dioxo-2lambda6-thiaspiro[3.3]heptan-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 161.05106 Da
Monoisotopic Mass: -0.9
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	122.3
[M+Na]+	184.040278	126.5
[M-H]-	160.043784	127.1
[M+NH4]+	179.084883	132.8
[M+K]+	200.014218	130.4
[M+H-H2O]+	144.048320	109.3
[M+HCOO]-	206.049261	136.8
[M+CH3COO]-	220.064911	187.7
[M+Na-2H]-	182.025726	126.9
[M]+	161.05051142	137.4
[M]-	161.05160858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe