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]+ 173.09948 136.5
[M+Na]+ 195.08142 142.3
[M-H]- 171.08492 142.2
[M+NH4]+ 190.12602 160.1
[M+K]+ 211.05536 141.9
[M+H-H2O]+ 155.08946 132.0
[M+HCOO]- 217.09040 150.5
[M+CH3COO]- 231.10605 149.4
[M+Na-2H]- 193.06687 139.4
[M]+ 172.09165 133.0
[M]- 172.09275 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.