CID 3024866

3-allyl-1-methyl-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CN1CC(=O)N(C1=S)CC=C
InChI
InChI=1S/C7H10N2OS/c1-3-4-9-6(10)5-8(2)7(9)11/h3H,1,4-5H2,2H3
InChIKey
CSOZJWJXTNWDRD-UHFFFAOYSA-N
Compound name
1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05139 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 134.9
[M+Na]+ 193.040608 145.1
[M-H]- 169.044114 136.5
[M+NH4]+ 188.085213 155.7
[M+K]+ 209.014548 142.1
[M+H-H2O]+ 153.048650 129.3
[M+HCOO]- 215.049591 150.9
[M+CH3COO]- 229.065241 178.1
[M+Na-2H]- 191.026056 134.1
[M]+ 170.05084142 135.8
[M]- 170.05193858 135.8
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.