CID 3036927

Tetrahydro-1,3,6-thiadiazepine-2,7-dithione

Structural Information

Molecular Formula
C4H6N2S3
SMILES
C1CNC(=S)SC(=S)N1
InChI
InChI=1S/C4H6N2S3/c7-3-5-1-2-6-4(8)9-3/h1-2H2,(H,5,7)(H,6,8)
InChIKey
HHBOUFYYHJJTNU-UHFFFAOYSA-N
Compound name
1,3,6-thiadiazepane-2,7-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

527
Patents

177.96931 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97659 135.7
[M+Na]+ 200.95853 139.2
[M-H]- 176.96203 133.2
[M+NH4]+ 196.00313 149.8
[M+K]+ 216.93247 137.1
[M+H-H2O]+ 160.96657 128.9
[M+HCOO]- 222.96751 134.8
[M+CH3COO]- 236.98316 143.6
[M+Na-2H]- 198.94398 132.7
[M]+ 177.96876 124.7
[M]- 177.96986 124.7
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