CID 83680492

9-thia-1-azaspiro[5.5]undecane-2,4-dione

Structural Information

Molecular Formula
C9H13NO2S
SMILES
C1CSCCC12CC(=O)CC(=O)N2
InChI
InChI=1S/C9H13NO2S/c11-7-5-8(12)10-9(6-7)1-3-13-4-2-9/h1-6H2,(H,10,12)
InChIKey
HQZMTJAYZJNPPU-UHFFFAOYSA-N
Compound name
9-thia-1-azaspiro[5.5]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0667 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 142.0
[M+Na]+ 222.05592 147.3
[M-H]- 198.05942 143.9
[M+NH4]+ 217.10052 161.6
[M+K]+ 238.02986 144.1
[M+H-H2O]+ 182.06396 136.2
[M+HCOO]- 244.06490 152.2
[M+CH3COO]- 258.08055 176.4
[M+Na-2H]- 220.04137 144.6
[M]+ 199.06615 134.8
[M]- 199.06725 134.8
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.