CID 34543

N,n'-diallylethylenethioure

Structural Information

Molecular Formula
C9H14N2S
SMILES
C=CCN1CCN(C1=S)CC=C
InChI
InChI=1S/C9H14N2S/c1-3-5-10-7-8-11(6-4-2)9(10)12/h3-4H,1-2,5-8H2
InChIKey
JKTVHTKKLHJKRJ-UHFFFAOYSA-N
Compound name
1,3-bis(prop-2-enyl)imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

182.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09505 144.9
[M+Na]+ 205.07699 154.8
[M+NH4]+ 200.12159 152.4
[M+K]+ 221.05093 147.7
[M-H]- 181.08049 144.8
[M+Na-2H]- 203.06244 146.9
[M]+ 182.08722 146.4
[M]- 182.08832 146.4
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