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]+ 200.073976 142.0
[M+Na]+ 222.055918 147.3
[M-H]- 198.059424 143.9
[M+NH4]+ 217.100523 161.6
[M+K]+ 238.029858 144.1
[M+H-H2O]+ 182.063960 136.2
[M+HCOO]- 244.064901 152.2
[M+CH3COO]- 258.080551 176.4
[M+Na-2H]- 220.041366 144.6
[M]+ 199.06615142 134.8
[M]- 199.06724858 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.