CID 4868343

7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

Structural Information

Molecular Formula
C6H8N2O2S
SMILES
C1CSCC12C(=O)NC(=O)N2
InChI
InChI=1S/C6H8N2O2S/c9-4-6(1-2-11-3-6)8-5(10)7-4/h1-3H2,(H2,7,8,9,10)
InChIKey
MDNCSTBDLRSGIJ-UHFFFAOYSA-N
Compound name
7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03065 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03793 136.1
[M+Na]+ 195.01987 144.7
[M-H]- 171.02337 136.9
[M+NH4]+ 190.06447 158.8
[M+K]+ 210.99381 141.7
[M+H-H2O]+ 155.02791 131.5
[M+HCOO]- 217.02885 149.2
[M+CH3COO]- 231.04450 148.4
[M+Na-2H]- 193.00532 136.4
[M]+ 172.03010 131.4
[M]- 172.03120 131.4
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.