CID 28974863

1,4-dioxaspiro[4.5]decane-8-thiol

Structural Information

Molecular Formula
C8H14O2S
SMILES
C1CC2(CCC1S)OCCO2
InChI
InChI=1S/C8H14O2S/c11-7-1-3-8(4-2-7)9-5-6-10-8/h7,11H,1-6H2
InChIKey
GLNUNPNRGZFERT-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decane-8-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07146 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07874 134.4
[M+Na]+ 197.06068 140.7
[M-H]- 173.06418 141.0
[M+NH4]+ 192.10528 156.6
[M+K]+ 213.03462 142.0
[M+H-H2O]+ 157.06872 130.4
[M+HCOO]- 219.06966 148.3
[M+CH3COO]- 233.08531 147.8
[M+Na-2H]- 195.04613 138.9
[M]+ 174.07091 132.7
[M]- 174.07201 132.7
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

patents stripe