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]+ 172.04268 136.5
[M+Na]+ 194.02462 145.0
[M-H]- 170.02812 139.9
[M+NH4]+ 189.06922 161.2
[M+K]+ 209.99856 142.6
[M+H-H2O]+ 154.03266 132.3
[M+HCOO]- 216.03360 151.9
[M+CH3COO]- 230.04925 170.0
[M+Na-2H]- 192.01007 136.9
[M]+ 171.03485 133.3
[M]- 171.03595 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.