CID 131752465

2,4,6-triethyl-1,3,5-oxadithiane

Structural Information

Molecular Formula
C9H18OS2
SMILES
CCC1OC(SC(S1)CC)CC
InChI
InChI=1S/C9H18OS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3
InChIKey
GQNYEPIOQFSEAZ-UHFFFAOYSA-N
Compound name
2,4,6-triethyl-1,3,5-oxadithiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08719 141.6
[M+Na]+ 229.06913 147.8
[M-H]- 205.07263 145.2
[M+NH4]+ 224.11373 160.4
[M+K]+ 245.04307 145.7
[M+H-H2O]+ 189.07717 136.2
[M+HCOO]- 251.07811 150.3
[M+CH3COO]- 265.09376 185.3
[M+Na-2H]- 227.05458 141.0
[M]+ 206.07936 142.8
[M]- 206.08046 142.8
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.