CID 165770271

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

Structural Information

Molecular Formula
C7H14N2OS
SMILES
CN1CCN(C1=O)CCSC
InChI
InChI=1S/C7H14N2OS/c1-8-3-4-9(7(8)10)5-6-11-2/h3-6H2,1-2H3
InChIKey
DGZYBCGNIOCUNG-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-methylsulfanylethyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.08269 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08997 137.4
[M+Na]+ 197.07191 146.1
[M-H]- 173.07541 138.5
[M+NH4]+ 192.11651 157.9
[M+K]+ 213.04585 144.4
[M+H-H2O]+ 157.07995 131.2
[M+HCOO]- 219.08089 153.1
[M+CH3COO]- 233.09654 178.8
[M+Na-2H]- 195.05736 137.2
[M]+ 174.08214 139.3
[M]- 174.08324 139.3
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.