CID 20834291

72187-31-6

Structural Information

Molecular Formula
C16H34O5S
SMILES
CC(COC(C)COC(C)COC(C)COC(C)CSC)O
InChI
InChI=1S/C16H34O5S/c1-12(17)7-18-13(2)8-19-14(3)9-20-15(4)10-21-16(5)11-22-6/h12-17H,7-11H2,1-6H3
InChIKey
VXINBTWIRFESFQ-UHFFFAOYSA-N
Compound name
1-[1-[1-[1-(1-methylsulfanylpropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2127 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21998 182.9
[M+Na]+ 361.20192 186.9
[M+NH4]+ 356.24652 186.9
[M+K]+ 377.17586 182.9
[M-H]- 337.20542 178.9
[M+Na-2H]- 359.18737 180.2
[M]+ 338.21215 182.3
[M]- 338.21325 182.3
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.