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 170.3
[M+Na]+ 303.16006 172.7
[M-H]- 279.16356 168.0
[M+NH4]+ 298.20466 185.8
[M+K]+ 319.13400 172.5
[M+H-H2O]+ 263.16810 164.0
[M+HCOO]- 325.16904 181.7
[M+CH3COO]- 339.18469 200.5
[M+Na-2H]- 301.14551 165.5
[M]+ 280.17029 177.6
[M]- 280.17139 177.6
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.