CID 38062

3-dimethylamino-5-morpholino-1,2-dithiolium chloride

Structural Information

Molecular Formula
C9H15N2OS2
SMILES
C[N+](=C1C=C(SS1)N2CCOCC2)C
InChI
InChI=1S/C9H15N2OS2/c1-10(2)8-7-9(14-13-8)11-3-5-12-6-4-11/h7H,3-6H2,1-2H3/q+1
InChIKey
CMGCEMBGDHFOID-UHFFFAOYSA-N
Compound name
dimethyl-(5-morpholin-4-yldithiol-3-ylidene)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06258 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06986 145.2
[M+Na]+ 254.05180 152.2
[M-H]- 230.05530 152.5
[M+NH4]+ 249.09640 163.2
[M+K]+ 270.02574 145.1
[M+H-H2O]+ 214.05984 141.4
[M+HCOO]- 276.06078 156.8
[M+CH3COO]- 290.07643 182.5
[M+Na-2H]- 252.03725 147.6
[M]+ 231.06203 143.3
[M]- 231.06313 143.3
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.