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 186.5
[M+Na]+ 361.20192 187.1
[M-H]- 337.20542 183.5
[M+NH4]+ 356.24652 199.4
[M+K]+ 377.17586 187.2
[M+H-H2O]+ 321.20996 179.6
[M+HCOO]- 383.21090 196.0
[M+CH3COO]- 397.22655 212.1
[M+Na-2H]- 359.18737 179.4
[M]+ 338.21215 195.7
[M]- 338.21325 195.7
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.