CID 25116113

Neosolue-aqulio

Structural Information

Molecular Formula
C20H36O8
SMILES
CCOCCOCCOC(=O)C1CCC(CC1)C(=O)OCCOCCOCC
InChI
InChI=1S/C20H36O8/c1-3-23-9-11-25-13-15-27-19(21)17-5-7-18(8-6-17)20(22)28-16-14-26-12-10-24-4-2/h17-18H,3-16H2,1-2H3
InChIKey
JNFDQAYPZCYWLD-UHFFFAOYSA-N
Compound name
bis[2-(2-ethoxyethoxy)ethyl] cyclohexane-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

346
Patents

404.24103 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.24831 197.4
[M+Na]+ 427.23025 197.3
[M-H]- 403.23375 197.9
[M+NH4]+ 422.27485 207.5
[M+K]+ 443.20419 197.9
[M+H-H2O]+ 387.23829 188.8
[M+HCOO]- 449.23923 213.9
[M+CH3COO]- 463.25488 221.4
[M+Na-2H]- 425.21570 194.6
[M]+ 404.24048 206.2
[M]- 404.24158 206.2
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