CID 66107161

1477740-44-5

Structural Information

Molecular Formula
C8H13NO3S
SMILES
C1CS(=O)(=O)CCC12CC(=O)NC2
InChI
InChI=1S/C8H13NO3S/c10-7-5-8(6-9-7)1-3-13(11,12)4-2-8/h1-6H2,(H,9,10)
InChIKey
WXRCDHNXDAYFRK-UHFFFAOYSA-N
Compound name
8,8-dioxo-8lambda6-thia-2-azaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06161 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.068886 141.3
[M+Na]+ 226.050828 149.3
[M-H]- 202.054334 144.1
[M+NH4]+ 221.095433 164.7
[M+K]+ 242.024768 146.4
[M+H-H2O]+ 186.058870 137.2
[M+HCOO]- 248.059811 154.5
[M+CH3COO]- 262.075461 174.1
[M+Na-2H]- 224.036276 144.5
[M]+ 203.06106142 137.4
[M]- 203.06215858 137.4
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.