CID 16217809

1,4-bis(1,4,7,10-tetraoxaundecyl)benzene

Structural Information

Molecular Formula
C20H34O8
SMILES
COCCOCCOCCOC1=CC=C(C=C1)OCCOCCOCCOC
InChI
InChI=1S/C20H34O8/c1-21-7-9-23-11-13-25-15-17-27-19-3-5-20(6-4-19)28-18-16-26-14-12-24-10-8-22-2/h3-6H,7-18H2,1-2H3
InChIKey
GLFDQJMQVPBQCE-UHFFFAOYSA-N
Compound name
1,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

402.22537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.232646 194.9
[M+Na]+ 425.214588 197.4
[M-H]- 401.218094 196.3
[M+NH4]+ 420.259193 205.4
[M+K]+ 441.188528 197.6
[M+H-H2O]+ 385.222630 185.2
[M+HCOO]- 447.223571 217.3
[M+CH3COO]- 461.239221 221.2
[M+Na-2H]- 423.200036 197.1
[M]+ 402.22482142 210.6
[M]- 402.22591858 210.6
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