CID 212707

24699-55-6

Structural Information

Molecular Formula
C11H20OS
SMILES
CC1CC(CC2(C1)OCCS2)(C)C
InChI
InChI=1S/C11H20OS/c1-9-6-10(2,3)8-11(7-9)12-4-5-13-11/h9H,4-8H2,1-3H3
InChIKey
DDLLIPSMSQEADF-UHFFFAOYSA-N
Compound name
7,7,9-trimethyl-1-oxa-4-thiaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.12349 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13077 142.8
[M+Na]+ 223.11271 149.5
[M-H]- 199.11621 148.8
[M+NH4]+ 218.15731 167.6
[M+K]+ 239.08665 148.8
[M+H-H2O]+ 183.12075 139.1
[M+HCOO]- 245.12169 156.1
[M+CH3COO]- 259.13734 181.3
[M+Na-2H]- 221.09816 145.7
[M]+ 200.12294 140.9
[M]- 200.12404 140.9
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