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]+ 337.25848 188.0
[M+Na]+ 359.24042 188.8
[M-H]- 335.24392 185.0
[M+NH4]+ 354.28502 200.1
[M+K]+ 375.21436 190.5
[M+H-H2O]+ 319.24846 181.1
[M+HCOO]- 381.24940 197.4
[M+CH3COO]- 395.26505 213.5
[M+Na-2H]- 357.22587 182.7
[M]+ 336.25065 197.0
[M]- 336.25175 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.