CID 567982

13253-44-6

Structural Information

Molecular Formula
C6H10N2O2S
SMILES
CSCCC1C(=O)NC(=O)N1
InChI
InChI=1S/C6H10N2O2S/c1-11-3-2-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)
InChIKey
SBKRXUMXMKBCLD-UHFFFAOYSA-N
Compound name
5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

1115
Patents

174.0463 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.053576 136.7
[M+Na]+ 197.035518 145.1
[M-H]- 173.039024 135.1
[M+NH4]+ 192.080123 155.5
[M+K]+ 213.009458 141.5
[M+H-H2O]+ 157.043560 131.1
[M+HCOO]- 219.044501 150.1
[M+CH3COO]- 233.060151 171.7
[M+Na-2H]- 195.020966 136.2
[M]+ 174.04575142 135.2
[M]- 174.04684858 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe