CID 13876

Bis(dimethylamino)dithiazolium

Structural Information

Molecular Formula
C6H12N3S2
SMILES
CN(C)C1=NC(=[N+](C)C)SS1
InChI
InChI=1S/C6H12N3S2/c1-8(2)5-7-6(9(3)4)11-10-5/h1-4H3/q+1
InChIKey
KCBRYAXBJXMPSI-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

190.04727 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05455 133.2
[M+Na]+ 213.03649 142.0
[M-H]- 189.03999 139.1
[M+NH4]+ 208.08109 154.7
[M+K]+ 229.01043 135.2
[M+H-H2O]+ 173.04453 129.1
[M+HCOO]- 235.04547 149.5
[M+CH3COO]- 249.06112 183.2
[M+Na-2H]- 211.02194 136.3
[M]+ 190.04672 135.1
[M]- 190.04782 135.1
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