CID 20834284

71735-66-5

Structural Information

Molecular Formula
C17H36O6
SMILES
CCC(COC(C)COC(C)COC(C)COC(C)COC)O
InChI
InChI=1S/C17H36O6/c1-7-17(18)12-23-16(5)11-22-15(4)10-21-14(3)9-20-13(2)8-19-6/h13-18H,7-12H2,1-6H3
InChIKey
OHICJRKVIOXNDB-UHFFFAOYSA-N
Compound name
1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2512 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.258476 188.0
[M+Na]+ 359.240418 188.8
[M-H]- 335.243924 185.0
[M+NH4]+ 354.285023 200.1
[M+K]+ 375.214358 190.5
[M+H-H2O]+ 319.248460 181.1
[M+HCOO]- 381.249401 197.4
[M+CH3COO]- 395.265051 213.5
[M+Na-2H]- 357.225866 182.7
[M]+ 336.25065142 197.0
[M]- 336.25174858 197.0
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.