CID 65122398

2172554-83-3

Structural Information

Molecular Formula
C8H15NO3S
SMILES
C1CS(=O)(=O)CCC12CNCCO2
InChI
InChI=1S/C8H15NO3S/c10-13(11)5-1-8(2-6-13)7-9-3-4-12-8/h9H,1-7H2
InChIKey
FINSMIHDRWZBFI-UHFFFAOYSA-N
Compound name
1-oxa-9lambda6-thia-4-azaspiro[5.5]undecane 9,9-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.07727 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 140.6
[M+Na]+ 228.06649 146.3
[M-H]- 204.06999 143.2
[M+NH4]+ 223.11109 160.4
[M+K]+ 244.04043 145.3
[M+H-H2O]+ 188.07453 135.2
[M+HCOO]- 250.07547 150.6
[M+CH3COO]- 264.09112 174.4
[M+Na-2H]- 226.05194 146.7
[M]+ 205.07672 135.2
[M]- 205.07782 135.2
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.