CID 80497682

5-thia-8-azaspiro[3.4]octane

Structural Information

Molecular Formula
C6H11NS
SMILES
C1CC2(C1)NCCS2
InChI
InChI=1S/C6H11NS/c1-2-6(3-1)7-4-5-8-6/h7H,1-5H2
InChIKey
FESTXUIXVBKJRG-UHFFFAOYSA-N
Compound name
5-thia-8-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.06122 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 119.6
[M+Na]+ 152.05044 124.8
[M-H]- 128.05394 122.3
[M+NH4]+ 147.09504 137.4
[M+K]+ 168.02438 125.7
[M+H-H2O]+ 112.05848 109.9
[M+HCOO]- 174.05942 133.5
[M+CH3COO]- 188.07507 168.0
[M+Na-2H]- 150.03589 123.4
[M]+ 129.06067 124.0
[M]- 129.06177 124.0
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.