CID 165675282

1-methyl-3-[3-(methylsulfanyl)propyl]imidazolidin-2-one

Structural Information

Molecular Formula
C8H16N2OS
SMILES
CN1CCN(C1=O)CCCSC
InChI
InChI=1S/C8H16N2OS/c1-9-5-6-10(8(9)11)4-3-7-12-2/h3-7H2,1-2H3
InChIKey
CDVAPSKGYLOETR-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-methylsulfanylpropyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09833 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10561 141.8
[M+Na]+ 211.08755 150.1
[M-H]- 187.09105 142.7
[M+NH4]+ 206.13215 161.7
[M+K]+ 227.06149 148.1
[M+H-H2O]+ 171.09559 135.4
[M+HCOO]- 233.09653 157.1
[M+CH3COO]- 247.11218 181.8
[M+Na-2H]- 209.07300 141.1
[M]+ 188.09778 144.0
[M]- 188.09888 144.0
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.