CID 10788

Dazomet

Structural Information

Molecular Formula
C5H10N2S2
SMILES
CN1CN(C(=S)SC1)C
InChI
InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3
InChIKey
QAYICIQNSGETAS-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

68
References

39691
Patents

162.02853 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03581 128.7
[M+Na]+ 185.01775 137.3
[M-H]- 161.02125 129.5
[M+NH4]+ 180.06235 147.9
[M+K]+ 200.99169 133.9
[M+H-H2O]+ 145.02579 122.9
[M+HCOO]- 207.02673 136.9
[M+CH3COO]- 221.04238 176.0
[M+Na-2H]- 183.00320 128.6
[M]+ 162.02798 127.0
[M]- 162.02908 127.0
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.