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]+ 183.095046 140.9
[M+Na]+ 205.076988 149.5
[M-H]- 181.080494 141.8
[M+NH4]+ 200.121593 161.0
[M+K]+ 221.050928 145.7
[M+H-H2O]+ 165.085030 134.6
[M+HCOO]- 227.085971 156.0
[M+CH3COO]- 241.101621 181.0
[M+Na-2H]- 203.062436 139.6
[M]+ 182.08722142 140.7
[M]- 182.08831858 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