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]+ 204.06889 141.3
[M+Na]+ 226.05083 149.3
[M-H]- 202.05433 144.1
[M+NH4]+ 221.09543 164.7
[M+K]+ 242.02477 146.4
[M+H-H2O]+ 186.05887 137.2
[M+HCOO]- 248.05981 154.5
[M+CH3COO]- 262.07546 174.1
[M+Na-2H]- 224.03628 144.5
[M]+ 203.06106 137.4
[M]- 203.06216 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.