CID 122163411

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

Structural Information

Molecular Formula
C7H9NO2S
SMILES
C1CSCC12C(=O)CC(=O)N2
InChI
InChI=1S/C7H9NO2S/c9-5-3-6(10)8-7(5)1-2-11-4-7/h1-4H2,(H,8,10)
InChIKey
NQXIZYQGLSGVMB-UHFFFAOYSA-N
Compound name
7-thia-1-azaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0354 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.042676 136.5
[M+Na]+ 194.024618 145.0
[M-H]- 170.028124 139.9
[M+NH4]+ 189.069223 161.2
[M+K]+ 209.998558 142.6
[M+H-H2O]+ 154.032660 132.3
[M+HCOO]- 216.033601 151.9
[M+CH3COO]- 230.049251 170.0
[M+Na-2H]- 192.010066 136.9
[M]+ 171.03485142 133.3
[M]- 171.03594858 133.3
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.