CID 155820374

7,10-dioxa-1-thiadispiro[2.2.4^{6}.2^{3}]dodecane

Structural Information

Molecular Formula
C9H14O2S
SMILES
C1CC2(CCC13CS3)OCCO2
InChI
InChI=1S/C9H14O2S/c1-3-9(10-5-6-11-9)4-2-8(1)7-12-8/h1-7H2
InChIKey
HMDITGCMCMHIAW-UHFFFAOYSA-N
Compound name
7,10-dioxa-2-thiadispiro[2.2.46.23]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07146 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07874 144.2
[M+Na]+ 209.06068 155.7
[M+NH4]+ 204.10528 157.8
[M+K]+ 225.03462 147.8
[M-H]- 185.06418 157.4
[M+Na-2H]- 207.04613 153.5
[M]+ 186.07091 151.5
[M]- 186.07201 151.5
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.