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

13
Patents

402.22537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.23265 194.9
[M+Na]+ 425.21459 197.4
[M-H]- 401.21809 196.3
[M+NH4]+ 420.25919 205.4
[M+K]+ 441.18853 197.6
[M+H-H2O]+ 385.22263 185.2
[M+HCOO]- 447.22357 217.3
[M+CH3COO]- 461.23922 221.2
[M+Na-2H]- 423.20004 197.1
[M]+ 402.22482 210.6
[M]- 402.22592 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