CID 67031

117-85-1

Structural Information

Molecular Formula
C20H30O8
SMILES
CCOCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCOCC
InChI
InChI=1S/C20H30O8/c1-3-23-9-11-25-13-15-27-19(21)17-7-5-6-8-18(17)20(22)28-16-14-26-12-10-24-4-2/h5-8H,3-4,9-16H2,1-2H3
InChIKey
BWTZODIETZQWSD-UHFFFAOYSA-N
Compound name
bis[2-(2-ethoxyethoxy)ethyl] benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

398.19406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20134 194.3
[M+Na]+ 421.18328 197.1
[M-H]- 397.18678 196.1
[M+NH4]+ 416.22788 204.8
[M+K]+ 437.15722 197.2
[M+H-H2O]+ 381.19132 185.2
[M+HCOO]- 443.19226 215.1
[M+CH3COO]- 457.20791 220.1
[M+Na-2H]- 419.16873 194.1
[M]+ 398.19351 207.2
[M]- 398.19461 207.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe