CID 73134

4-imidazolidinone, 1-ethyl-3-methyl-2-thioxo-

Structural Information

Molecular Formula

C₆H₁₀N₂OS

SMILES

CCN1CC(=O)N(C1=S)C

InChI

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

InChIKey

HJARDFLUMLJZDG-UHFFFAOYSA-N

Compound name

1-ethyl-3-methyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 101
Patents: 158.05139 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]+	159.05867	131.5
[M+Na]+	181.04061	141.8
[M-H]-	157.04411	133.2
[M+NH4]+	176.08521	152.9
[M+K]+	197.01455	139.7
[M+H-H2O]+	141.04865	126.0
[M+HCOO]-	203.04959	147.6
[M+CH3COO]-	217.06524	176.0
[M+Na-2H]-	179.02606	131.2
[M]+	158.05084	132.7
[M]-	158.05194	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe