CID 3039727

51112-68-6

Structural Information

Molecular Formula
C9H16N2OS
SMILES
CCN1C(=O)C(NC1=S)CC(C)C
InChI
InChI=1S/C9H16N2OS/c1-4-11-8(12)7(5-6(2)3)10-9(11)13/h6-7H,4-5H2,1-3H3,(H,10,13)
InChIKey
XIHVJHXWIOGUQT-UHFFFAOYSA-N
Compound name
3-ethyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09833 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10561 148.7
[M+Na]+ 223.08755 157.5
[M+NH4]+ 218.13215 155.5
[M+K]+ 239.06149 152.4
[M-H]- 199.09105 147.7
[M+Na-2H]- 221.07300 149.3
[M]+ 200.09778 149.8
[M]- 200.09888 149.8
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

No patent data available for this compound.