CID 39384

1-oxa-4-thiaspiro(4.5)decane, 9-methyl-

Structural Information

Molecular Formula
C9H16OS
SMILES
CC1CCC2(C1)CSCCO2
InChI
InChI=1S/C9H16OS/c1-8-2-3-9(6-8)7-11-5-4-10-9/h8H,2-7H2,1H3
InChIKey
GAYCEMCUIGXZCW-UHFFFAOYSA-N
Compound name
3-methyl-6-oxa-9-thiaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0922 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.099476 136.5
[M+Na]+ 195.081418 142.3
[M-H]- 171.084924 142.2
[M+NH4]+ 190.126023 160.1
[M+K]+ 211.055358 141.9
[M+H-H2O]+ 155.089460 132.0
[M+HCOO]- 217.090401 150.5
[M+CH3COO]- 231.106051 149.4
[M+Na-2H]- 193.066866 139.4
[M]+ 172.09165142 133.0
[M]- 172.09274858 133.0
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.