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]+ 159.08382 133.5
[M+Na]+ 181.06576 143.1
[M+NH4]+ 176.11036 145.7
[M+K]+ 197.03970 134.8
[M-H]- 157.06926 138.2
[M+Na-2H]- 179.05121 139.6
[M]+ 158.07599 136.8
[M]- 158.07709 136.8
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