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]+ 197.11070 144.0
[M+Na]+ 219.09264 150.9
[M-H]- 195.09614 144.2
[M+NH4]+ 214.13724 161.5
[M+K]+ 235.06658 146.6
[M+H-H2O]+ 179.10068 137.2
[M+HCOO]- 241.10162 156.6
[M+CH3COO]- 255.11727 184.3
[M+Na-2H]- 217.07809 143.9
[M]+ 196.10287 141.9
[M]- 196.10397 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.