CID 105762

2-butenedioic acid (2z)-, mono-3,6,9,12,15,18-hexaoxaoctacos-1-yl ester

Structural Information

Molecular Formula
C26H48O10
SMILES
CCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)C=CC(=O)O
InChI
InChI=1S/C26H48O10/c1-2-3-4-5-6-7-8-9-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23-24-36-26(29)11-10-25(27)28/h10-11H,2-9,12-24H2,1H3,(H,27,28)
InChIKey
LNXMOXFFLALVDY-UHFFFAOYSA-N
Compound name
4-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.32477 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.33205 237.7
[M+Na]+ 543.31399 237.7
[M+NH4]+ 538.35859 240.5
[M+K]+ 559.28793 237.5
[M-H]- 519.31749 227.9
[M+Na-2H]- 541.29944 239.5
[M]+ 520.32422 235.4
[M]- 520.32532 235.4
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.