CID 4049155

126646-15-9

Structural Information

Molecular Formula
C26H52O11
SMILES
CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C26H52O11/c1-2-3-4-5-6-7-8-29-9-10-30-11-12-31-13-14-32-15-16-33-17-18-34-19-20-35-21-22-36-23-24-37-25-26(27)28/h2-25H2,1H3,(H,27,28)
InChIKey
MGMFSGKRFVBMQC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

302
Patents

540.35095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.35823 242.9
[M+Na]+ 563.34017 244.1
[M-H]- 539.34367 232.2
[M+NH4]+ 558.38477 245.9
[M+K]+ 579.31411 240.5
[M+H-H2O]+ 523.34821 243.7
[M+HCOO]- 585.34915 252.1
[M+CH3COO]- 599.36480 244.3
[M+Na-2H]- 561.32562 226.3
[M]+ 540.35040 243.8
[M]- 540.35150 243.8
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

No patent data available for this compound.