CID 9094

1-oxa-4-thiaspiro[4.5]decane

Structural Information

Molecular Formula
C8H14OS
SMILES
C1CCC2(CC1)OCCS2
InChI
InChI=1S/C8H14OS/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2
InChIKey
AWAPQLQRGOLHTD-UHFFFAOYSA-N
Compound name
1-oxa-4-thiaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

158.07654 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.083816 132.7
[M+Na]+ 181.065758 138.0
[M-H]- 157.069264 138.2
[M+NH4]+ 176.110363 156.5
[M+K]+ 197.039698 137.9
[M+H-H2O]+ 141.073800 128.1
[M+HCOO]- 203.074741 147.1
[M+CH3COO]- 217.090391 145.7
[M+Na-2H]- 179.051206 136.6
[M]+ 158.07599142 128.5
[M]- 158.07708858 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe