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

24
Patents

160.03065 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03793 132.5
[M+Na]+ 183.01987 141.2
[M-H]- 159.02337 131.0
[M+NH4]+ 178.06447 151.8
[M+K]+ 198.99381 137.9
[M+H-H2O]+ 143.02791 127.0
[M+HCOO]- 205.02885 146.1
[M+CH3COO]- 219.04450 168.7
[M+Na-2H]- 181.00532 132.4
[M]+ 160.03010 130.5
[M]- 160.03120 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