CID 3032418

2010-16-4

Structural Information

Molecular Formula
C6H8N2OS
SMILES
C=CCN1C(=O)CNC1=S
InChI
InChI=1S/C6H8N2OS/c1-2-3-8-5(9)4-7-6(8)10/h2H,1,3-4H2,(H,7,10)
InChIKey
UVUYSPTYWQXNLX-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

156.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 132.1
[M+Na]+ 179.02496 141.4
[M-H]- 155.02846 132.0
[M+NH4]+ 174.06956 152.4
[M+K]+ 194.99890 137.7
[M+H-H2O]+ 139.03300 126.5
[M+HCOO]- 201.03394 146.9
[M+CH3COO]- 215.04959 171.3
[M+Na-2H]- 177.01041 131.9
[M]+ 156.03519 130.3
[M]- 156.03629 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe