CID 3042768

2-imidazolidinethione, 1-acetyl-3-methyl-

Structural Information

Molecular Formula

C₆H₁₀N₂OS

SMILES

CC(=O)N1CCN(C1=S)C

InChI

InChI=1S/C6H10N2OS/c1-5(9)8-4-3-7(2)6(8)10/h3-4H2,1-2H3

InChIKey

WJAFILONZSXFET-UHFFFAOYSA-N

Compound name

1-(3-methyl-2-sulfanylideneimidazolidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 158.05139 Da
Monoisotopic Mass: -0.1
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]+	159.058666	132.5
[M+Na]+	181.040608	141.7
[M-H]-	157.044114	134.0
[M+NH4]+	176.085213	153.6
[M+K]+	197.014548	140.2
[M+H-H2O]+	141.048650	126.7
[M+HCOO]-	203.049591	147.6
[M+CH3COO]-	217.065241	175.0
[M+Na-2H]-	179.026056	131.7
[M]+	158.05084142	132.7
[M]-	158.05193858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe