CID 57375652

Bis(2-ethoxybenzoyl) nonanedioate

Structural Information

Molecular Formula
C27H32O8
SMILES
CCOC1=CC=CC=C1C(=O)OC(=O)CCCCCCCC(=O)OC(=O)C2=CC=CC=C2OCC
InChI
InChI=1S/C27H32O8/c1-3-32-22-16-12-10-14-20(22)26(30)34-24(28)18-8-6-5-7-9-19-25(29)35-27(31)21-15-11-13-17-23(21)33-4-2/h10-17H,3-9,18-19H2,1-2H3
InChIKey
OMIDTLXLZCJWDM-UHFFFAOYSA-N
Compound name
bis(2-ethoxybenzoyl) nonanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.20972 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21700 217.7
[M+Na]+ 507.19894 219.4
[M-H]- 483.20244 222.5
[M+NH4]+ 502.24354 224.1
[M+K]+ 523.17288 218.0
[M+H-H2O]+ 467.20698 207.2
[M+HCOO]- 529.20792 235.8
[M+CH3COO]- 543.22357 236.8
[M+Na-2H]- 505.18439 213.4
[M]+ 484.20917 227.7
[M]- 484.21027 227.7
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.