CID 3032361

Albutoin

Structural Information

Molecular Formula

C₁₀H₁₆N₂OS

SMILES

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

InChI

InChI=1S/C10H16N2OS/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)

InChIKey

RATGSRSDPNECNO-UHFFFAOYSA-N

Compound name

5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 1700
Patents: 212.09833 Da
Monoisotopic Mass: 2.1
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]+	213.10561	152.7
[M+Na]+	235.08755	161.3
[M+NH4]+	230.13215	159.0
[M+K]+	251.06149	155.9
[M-H]-	211.09105	151.4
[M+Na-2H]-	233.07300	152.9
[M]+	212.09778	153.6
[M]-	212.09888	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe