CID 454317

5,5di-hsme hydantoin

Structural Information

Molecular Formula

C₅H₈N₂O₂S₂

SMILES

C(C1(C(=O)NC(=O)N1)CS)S

InChI

InChI=1S/C5H8N2O2S2/c8-3-5(1-10,2-11)7-4(9)6-3/h10-11H,1-2H2,(H2,6,7,8,9)

InChIKey

GTAAGRYTTYOTBJ-UHFFFAOYSA-N

Compound name

5,5-bis(sulfanylmethyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 192.00272 Da
Monoisotopic Mass: -0.6
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]+	193.01000	135.5
[M+Na]+	214.99194	144.9
[M-H]-	190.99544	133.8
[M+NH4]+	210.03654	155.6
[M+K]+	230.96588	140.5
[M+H-H2O]+	174.99998	131.5
[M+HCOO]-	237.00092	143.5
[M+CH3COO]-	251.01657	173.4
[M+Na-2H]-	212.97739	135.1
[M]+	192.00217	135.0
[M]-	192.00327	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe