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 135.2
[M+Na]+ 209.06068 143.2
[M-H]- 185.06418 144.4
[M+NH4]+ 204.10528 153.8
[M+K]+ 225.03462 145.7
[M+H-H2O]+ 169.06872 131.1
[M+HCOO]- 231.06966 148.0
[M+CH3COO]- 245.08531 148.4
[M+Na-2H]- 207.04613 142.0
[M]+ 186.07091 136.1
[M]- 186.07201 136.1
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.