CID 34021

3,5-dimorpholino-1,2-dithiolium chloride

Structural Information

Molecular Formula
C11H17N2O2S2
SMILES
C1COCCN1C2=CC(=[N+]3CCOCC3)SS2
InChI
InChI=1S/C11H17N2O2S2/c1-5-14-6-2-12(1)10-9-11(17-16-10)13-3-7-15-8-4-13/h9H,1-8H2/q+1
InChIKey
FHHVWIUOZUWMGL-UHFFFAOYSA-N
Compound name
4-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

273.07315 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08043 155.0
[M+Na]+ 296.06237 160.7
[M-H]- 272.06587 162.4
[M+NH4]+ 291.10697 167.9
[M+K]+ 312.03631 153.6
[M+H-H2O]+ 256.07041 150.9
[M+HCOO]- 318.07135 160.9
[M+CH3COO]- 332.08700 182.6
[M+Na-2H]- 294.04782 156.6
[M]+ 273.07260 149.2
[M]- 273.07370 149.2
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