CID 116091498

2-methyl-3-[1-(methylsulfanyl)propan-2-yl]imidazolidin-4-one

Structural Information

Molecular Formula
C8H16N2OS
SMILES
CC1NCC(=O)N1C(C)CSC
InChI
InChI=1S/C8H16N2OS/c1-6(5-12-3)10-7(2)9-4-8(10)11/h6-7,9H,4-5H2,1-3H3
InChIKey
BJEACEBFWLNDIS-UHFFFAOYSA-N
Compound name
2-methyl-3-(1-methylsulfanylpropan-2-yl)imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09833 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10561 142.7
[M+Na]+ 211.08755 150.3
[M-H]- 187.09105 142.4
[M+NH4]+ 206.13215 161.9
[M+K]+ 227.06149 147.8
[M+H-H2O]+ 171.09559 136.7
[M+HCOO]- 233.09653 155.5
[M+CH3COO]- 247.11218 180.0
[M+Na-2H]- 209.07300 140.5
[M]+ 188.09778 142.5
[M]- 188.09888 142.5
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

No patent data available for this compound.