CID 214135

1,3-propanedithione, 1,3-dimorpholino-

Structural Information

Molecular Formula
C11H18N2O2S2
SMILES
C1COCCN1C(=S)CC(=S)N2CCOCC2
InChI
InChI=1S/C11H18N2O2S2/c16-10(12-1-5-14-6-2-12)9-11(17)13-3-7-15-8-4-13/h1-9H2
InChIKey
CGOCUAQIVLLXCA-UHFFFAOYSA-N
Compound name
1,3-dimorpholin-4-ylpropane-1,3-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

274.08096 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08824 159.6
[M+Na]+ 297.07018 162.4
[M-H]- 273.07368 162.6
[M+NH4]+ 292.11478 170.5
[M+K]+ 313.04412 160.9
[M+H-H2O]+ 257.07822 152.2
[M+HCOO]- 319.07916 161.2
[M+CH3COO]- 333.09481 192.1
[M+Na-2H]- 295.05563 157.9
[M]+ 274.08041 154.5
[M]- 274.08151 154.5
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.