CID 3068207

N,n'-diallyltrimethylenethiourea

Structural Information

Molecular Formula
C10H16N2S
SMILES
C=CCN1CCCN(C1=S)CC=C
InChI
InChI=1S/C10H16N2S/c1-3-6-11-8-5-9-12(7-4-2)10(11)13/h3-4H,1-2,5-9H2
InChIKey
VKAPOGOAPMCRQS-UHFFFAOYSA-N
Compound name
1,3-bis(prop-2-enyl)-1,3-diazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10342 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.110696 144.0
[M+Na]+ 219.092638 150.9
[M-H]- 195.096144 144.2
[M+NH4]+ 214.137243 161.5
[M+K]+ 235.066578 146.6
[M+H-H2O]+ 179.100680 137.2
[M+HCOO]- 241.101621 156.6
[M+CH3COO]- 255.117271 184.3
[M+Na-2H]- 217.078086 143.9
[M]+ 196.10287142 141.9
[M]- 196.10396858 141.9
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

No patent data available for this compound.