CID 13273782

65973-24-2

Structural Information

Molecular Formula
C7H12O3S
SMILES
C1CS(=O)CCC12OCCO2
InChI
InChI=1S/C7H12O3S/c8-11-5-1-7(2-6-11)9-3-4-10-7/h1-6H2
InChIKey
NMEVGMCVYMNMOM-UHFFFAOYSA-N
Compound name
1,4-dioxa-8lambda4-thiaspiro[4.5]decane 8-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

176.05072 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.057996 132.8
[M+Na]+ 199.039938 139.6
[M-H]- 175.043444 139.5
[M+NH4]+ 194.084543 154.8
[M+K]+ 215.013878 141.0
[M+H-H2O]+ 159.047980 128.9
[M+HCOO]- 221.048921 147.3
[M+CH3COO]- 235.064571 146.5
[M+Na-2H]- 197.025386 137.9
[M]+ 176.05017142 131.5
[M]- 176.05126858 131.5
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