CID 3034733

53517-95-6

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CC1(C(=O)N(C(=S)N1)CC=C)C
InChI
InChI=1S/C8H12N2OS/c1-4-5-10-6(11)8(2,3)9-7(10)12/h4H,1,5H2,2-3H3,(H,9,12)
InChIKey
SHWHBFYMRFDNDU-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.06703 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 137.4
[M+Na]+ 207.056248 147.4
[M-H]- 183.059754 137.5
[M+NH4]+ 202.100853 158.8
[M+K]+ 223.030188 143.5
[M+H-H2O]+ 167.064290 132.9
[M+HCOO]- 229.065231 151.5
[M+CH3COO]- 243.080881 178.1
[M+Na-2H]- 205.041696 137.3
[M]+ 184.06648142 137.1
[M]- 184.06757858 137.1
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

patents stripe