CID 3032889

31596-21-1

Structural Information

Molecular Formula

C₈H₁₆N₂S

SMILES

CC(C)N1CC(NC1=S)(C)C

InChI

InChI=1S/C8H16N2S/c1-6(2)10-5-8(3,4)9-7(10)11/h6H,5H2,1-4H3,(H,9,11)

InChIKey

BYHBWAODCZSHPZ-UHFFFAOYSA-N

Compound name

4,4-dimethyl-1-propan-2-ylimidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.10342 Da
Monoisotopic Mass: 1.3
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]+	173.11070	136.8
[M+Na]+	195.09264	145.2
[M-H]-	171.09614	136.7
[M+NH4]+	190.13724	158.7
[M+K]+	211.06658	142.7
[M+H-H2O]+	155.10068	132.0
[M+HCOO]-	217.10162	149.4
[M+CH3COO]-	231.11727	177.5
[M+Na-2H]-	193.07809	136.1
[M]+	172.10287	135.5
[M]-	172.10397	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe