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

8
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 140.9
[M+Na]+ 205.07699 149.5
[M-H]- 181.08049 141.8
[M+NH4]+ 200.12159 161.0
[M+K]+ 221.05093 145.7
[M+H-H2O]+ 165.08503 134.6
[M+HCOO]- 227.08597 156.0
[M+CH3COO]- 241.10162 181.0
[M+Na-2H]- 203.06244 139.6
[M]+ 182.08722 140.7
[M]- 182.08832 140.7
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