CID 10866493

5,7-dioxa-6-thiaspiro[2.5]octane 6-oxide

Structural Information

Molecular Formula
C5H8O3S
SMILES
C1CC12COS(=O)OC2
InChI
InChI=1S/C5H8O3S/c6-9-7-3-5(1-2-5)4-8-9/h1-4H2
InChIKey
AISMUYPWEMPRTF-UHFFFAOYSA-N
Compound name
5,7-dioxa-6lambda4-thiaspiro[2.5]octane 6-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

148.01941 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.026686 124.3
[M+Na]+ 171.008628 133.8
[M-H]- 147.012134 132.5
[M+NH4]+ 166.053233 140.9
[M+K]+ 186.982568 136.0
[M+H-H2O]+ 131.016670 119.2
[M+HCOO]- 193.017611 139.7
[M+CH3COO]- 207.033261 172.0
[M+Na-2H]- 168.994076 132.6
[M]+ 148.01886142 127.9
[M]- 148.01995858 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe