CID 9098

1-oxa-4-thiaspiro[4.6]undecane

Structural Information

Molecular Formula
C9H16OS
SMILES
C1CCCC2(CC1)OCCS2
InChI
InChI=1S/C9H16OS/c1-2-4-6-9(5-3-1)10-7-8-11-9/h1-8H2
InChIKey
YMBFOROXKKKJEE-UHFFFAOYSA-N
Compound name
1-oxa-4-thiaspiro[4.6]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0922 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.099476 136.8
[M+Na]+ 195.081418 139.1
[M-H]- 171.084924 142.7
[M+NH4]+ 190.126023 157.9
[M+K]+ 211.055358 141.4
[M+H-H2O]+ 155.089460 132.0
[M+HCOO]- 217.090401 149.8
[M+CH3COO]- 231.106051 148.1
[M+Na-2H]- 193.066866 139.2
[M]+ 172.09165142 129.4
[M]- 172.09274858 129.4
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.