CID 9098

184-31-6

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]+ 173.09948 136.8
[M+Na]+ 195.08142 139.1
[M-H]- 171.08492 142.7
[M+NH4]+ 190.12602 157.9
[M+K]+ 211.05536 141.4
[M+H-H2O]+ 155.08946 132.0
[M+HCOO]- 217.09040 149.8
[M+CH3COO]- 231.10605 148.1
[M+Na-2H]- 193.06687 139.2
[M]+ 172.09165 129.4
[M]- 172.09275 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.