CID 511619

3,5-dicyclopropyl-1,3,5-thiadiazinane-2-thione

Structural Information

Molecular Formula
C9H14N2S2
SMILES
C1CC1N2CN(C(=S)SC2)C3CC3
InChI
InChI=1S/C9H14N2S2/c12-9-11(8-3-4-8)5-10(6-13-9)7-1-2-7/h7-8H,1-6H2
InChIKey
KOSPEWPBZDGBDZ-UHFFFAOYSA-N
Compound name
3,5-dicyclopropyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.05984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06712 151.6
[M+Na]+ 237.04906 158.2
[M-H]- 213.05256 157.4
[M+NH4]+ 232.09366 157.4
[M+K]+ 253.02300 154.9
[M+H-H2O]+ 197.05710 144.1
[M+HCOO]- 259.05804 159.0
[M+CH3COO]- 273.07369 159.7
[M+Na-2H]- 235.03451 149.1
[M]+ 214.05929 152.1
[M]- 214.06039 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.