CID 8928

5,8,11,13,16,19-hexaoxatricosane

Structural Information

Molecular Formula
C17H36O6
SMILES
CCCCOCCOCCOCOCCOCCOCCCC
InChI
InChI=1S/C17H36O6/c1-3-5-7-18-9-11-20-13-15-22-17-23-16-14-21-12-10-19-8-6-4-2/h3-17H2,1-2H3
InChIKey
DKWHHTWSTXZKDW-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(2-butoxyethoxy)ethoxymethoxy]ethoxy]ethoxy]butane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

703
Patents

336.2512 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.25848 184.5
[M+Na]+ 359.24042 186.8
[M-H]- 335.24392 182.5
[M+NH4]+ 354.28502 198.2
[M+K]+ 375.21436 186.7
[M+H-H2O]+ 319.24846 176.7
[M+HCOO]- 381.24940 206.1
[M+CH3COO]- 395.26505 211.8
[M+Na-2H]- 357.22587 186.1
[M]+ 336.25065 198.8
[M]- 336.25175 198.8
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

patents stripe