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 145.6
[M+Na]+ 223.08755 153.8
[M-H]- 199.09105 145.5
[M+NH4]+ 218.13215 164.5
[M+K]+ 239.06149 150.5
[M+H-H2O]+ 183.09559 139.9
[M+HCOO]- 245.09653 158.2
[M+CH3COO]- 259.11218 183.3
[M+Na-2H]- 221.07300 142.3
[M]+ 200.09778 145.4
[M]- 200.09888 145.4
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.