CID 20834289

72187-29-2

Structural Information

Molecular Formula
C13H28O4S
SMILES
CC(COC(C)COC(C)COC(C)CSC)O
InChI
InChI=1S/C13H28O4S/c1-10(14)6-15-11(2)7-16-12(3)8-17-13(4)9-18-5/h10-14H,6-9H2,1-5H3
InChIKey
SOVDEPQXJZGPIZ-UHFFFAOYSA-N
Compound name
1-[1-[1-(1-methylsulfanylpropan-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

280.17084 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17812 168.1
[M+Na]+ 303.16006 173.6
[M+NH4]+ 298.20466 173.4
[M+K]+ 319.13400 168.8
[M-H]- 279.16356 165.0
[M+Na-2H]- 301.14551 166.8
[M]+ 280.17029 168.0
[M]- 280.17139 168.0
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.