CID 103409

65520-46-9

Structural Information

Molecular Formula
C26H50O10
SMILES
CCCCOCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCOCCCC
InChI
InChI=1S/C26H50O10/c1-3-5-11-29-13-15-31-17-19-33-21-23-35-25(27)9-7-8-10-26(28)36-24-22-34-20-18-32-16-14-30-12-6-4-2/h3-24H2,1-2H3
InChIKey
NRUKYANAWUDQNY-UHFFFAOYSA-N
Compound name
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

522.3404 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.34768 238.3
[M+Na]+ 545.32962 242.3
[M-H]- 521.33312 230.0
[M+NH4]+ 540.37422 244.9
[M+K]+ 561.30356 238.7
[M+H-H2O]+ 505.33766 240.9
[M+HCOO]- 567.33860 248.0
[M+CH3COO]- 581.35425 243.7
[M+Na-2H]- 543.31507 224.1
[M]+ 522.33985 240.2
[M]- 522.34095 240.2
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