CID 120461

Hexaethylene glycol monotridecyl ether

Structural Information

Molecular Formula
C25H52O7
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C25H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-14-27-16-18-29-20-22-31-24-25-32-23-21-30-19-17-28-15-13-26/h26H,2-25H2,1H3
InChIKey
GDLHTTMISPHZCZ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

464.3713 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.37858 228.7
[M+Na]+ 487.36052 231.2
[M-H]- 463.36402 213.6
[M+NH4]+ 482.40512 226.9
[M+K]+ 503.33446 227.5
[M+H-H2O]+ 447.36856 228.5
[M+HCOO]- 509.36950 240.1
[M+CH3COO]- 523.38515 234.2
[M+Na-2H]- 485.34597 213.3
[M]+ 464.37075 228.9
[M]- 464.37185 228.9
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