CID 3068527

83521-99-7

Structural Information

Molecular Formula
C7H10N2S2
SMILES
C1CCC2(C1)C(=S)NC(=S)N2
InChI
InChI=1S/C7H10N2S2/c10-5-7(3-1-2-4-7)9-6(11)8-5/h1-4H2,(H2,8,9,10,11)
InChIKey
IGGPSHNTLBQTIY-UHFFFAOYSA-N
Compound name
1,3-diazaspiro[4.4]nonane-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.02853 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.035806 138.7
[M+Na]+ 209.017748 147.8
[M-H]- 185.021254 139.2
[M+NH4]+ 204.062353 161.3
[M+K]+ 224.991688 142.8
[M+H-H2O]+ 169.025790 134.8
[M+HCOO]- 231.026731 145.8
[M+CH3COO]- 245.042381 150.2
[M+Na-2H]- 207.003196 136.4
[M]+ 186.02798142 133.1
[M]- 186.02907858 133.1
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