CID 7648

4,4'-dithiodimorpholine

Structural Information

Molecular Formula
C8H16N2O2S2
SMILES
C1COCCN1SSN2CCOCC2
InChI
InChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2
InChIKey
HLBZWYXLQJQBKU-UHFFFAOYSA-N
Compound name
4-(morpholin-4-yldisulfanyl)morpholine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

13104
Patents

236.06532 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07260 146.7
[M+Na]+ 259.05454 150.7
[M-H]- 235.05804 150.0
[M+NH4]+ 254.09914 159.3
[M+K]+ 275.02848 150.2
[M+H-H2O]+ 219.06258 139.4
[M+HCOO]- 281.06352 151.0
[M+CH3COO]- 295.07917 156.4
[M+Na-2H]- 257.03999 148.2
[M]+ 236.06477 143.1
[M]- 236.06587 143.1
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

patents stripe