CID 2747561

29220-04-0

Structural Information

Molecular Formula
C4H6N2S3
SMILES
CN(C)C1=NC(=S)SS1
InChI
InChI=1S/C4H6N2S3/c1-6(2)3-5-4(7)9-8-3/h1-2H3
InChIKey
IDRNGWAVAQNFSE-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1,2,4-dithiazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

177.96931 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97659 130.8
[M+Na]+ 200.95853 141.6
[M-H]- 176.96203 134.7
[M+NH4]+ 196.00313 152.4
[M+K]+ 216.93247 137.3
[M+H-H2O]+ 160.96657 125.2
[M+HCOO]- 222.96751 140.4
[M+CH3COO]- 236.98316 182.5
[M+Na-2H]- 198.94398 130.6
[M]+ 177.96876 132.8
[M]- 177.96986 132.8
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