CID 3038117

49630-32-2

Structural Information

Molecular Formula

C₇H₁₀N₂OS

SMILES

CC1C(=O)N(C(=S)N1)CC=C

InChI

InChI=1S/C7H10N2OS/c1-3-4-9-6(10)5(2)8-7(9)11/h3,5H,1,4H2,2H3,(H,8,11)

InChIKey

SWGXBUZJLLMBHI-UHFFFAOYSA-N

Compound name

5-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 40
Patents: 170.05139 Da
Monoisotopic Mass: 0.8
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]+	171.05867	140.0
[M+Na]+	193.04061	149.6
[M+NH4]+	188.08521	146.9
[M+K]+	209.01455	144.0
[M-H]-	169.04411	139.0
[M+Na-2H]-	191.02606	141.2
[M]+	170.05084	141.1
[M]-	170.05194	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe