CID 173690

5-[(methylsulfanyl)methyl]imidazolidine-2,4-dione

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
CSCC1C(=O)NC(=O)N1
InChI
InChI=1S/C5H8N2O2S/c1-10-2-3-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKey
LJMLJHMBQGSIQP-UHFFFAOYSA-N
Compound name
5-(methylsulfanylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

160.03065 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.037926 132.5
[M+Na]+ 183.019868 141.2
[M-H]- 159.023374 131.0
[M+NH4]+ 178.064473 151.8
[M+K]+ 198.993808 137.9
[M+H-H2O]+ 143.027910 127.0
[M+HCOO]- 205.028851 146.1
[M+CH3COO]- 219.044501 168.7
[M+Na-2H]- 181.005316 132.4
[M]+ 160.03010142 130.5
[M]- 160.03119858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe