CID 62708709

2377036-35-4

Structural Information

Molecular Formula

C₈H₁₅NO₂S

SMILES

C1CS(=O)(=O)CCC12CC2CN

InChI

InChI=1S/C8H15NO2S/c9-6-7-5-8(7)1-3-12(10,11)4-2-8/h7H,1-6,9H2

InChIKey

PEWYBZKIPNBYLD-UHFFFAOYSA-N

Compound name

(6,6-dioxo-6lambda6-thiaspiro[2.5]octan-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.08235 Da
Monoisotopic Mass: -0.3
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]+	190.089626	136.3
[M+Na]+	212.071568	145.1
[M-H]-	188.075074	142.2
[M+NH4]+	207.116173	155.0
[M+K]+	228.045508	143.3
[M+H-H2O]+	172.079610	132.4
[M+HCOO]-	234.080551	152.1
[M+CH3COO]-	248.096201	182.6
[M+Na-2H]-	210.057016	141.5
[M]+	189.08180142	137.0
[M]-	189.08289858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.