CID 7987

Bis(2-ethoxyethyl) adipate

Structural Information

Molecular Formula
C14H26O6
SMILES
CCOCCOC(=O)CCCCC(=O)OCCOCC
InChI
InChI=1S/C14H26O6/c1-3-17-9-11-19-13(15)7-5-6-8-14(16)20-12-10-18-4-2/h3-12H2,1-2H3
InChIKey
NJEMMCIKSMMBDM-UHFFFAOYSA-N
Compound name
bis(2-ethoxyethyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

276
Patents

290.17294 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18022 169.4
[M+Na]+ 313.16216 175.9
[M+NH4]+ 308.20676 173.1
[M+K]+ 329.13610 171.8
[M-H]- 289.16566 165.6
[M+Na-2H]- 311.14761 168.8
[M]+ 290.17239 168.6
[M]- 290.17349 168.6
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