CID 3152340

482617-60-7

Structural Information

Molecular Formula

C₁₀H₁₉NO₂S

SMILES

C1CCC(CC1)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C10H19NO2S/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9/h9-11H,1-8H2

InChIKey

OHSNGEHDOIRAAE-UHFFFAOYSA-N

Compound name

N-cyclohexyl-1,1-dioxothiolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27
Patents: 217.11365 Da
Monoisotopic Mass: 1.2
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]+	218.12093	147.6
[M+Na]+	240.10287	152.4
[M-H]-	216.10637	153.3
[M+NH4]+	235.14747	169.6
[M+K]+	256.07681	149.9
[M+H-H2O]+	200.11091	142.2
[M+HCOO]-	262.11185	163.4
[M+CH3COO]-	276.12750	183.6
[M+Na-2H]-	238.08832	148.6
[M]+	217.11310	142.9
[M]-	217.11420	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe