CID 6785

Ethyl phthalyl ethyl glycolate

Structural Information

Molecular Formula
C14H16O6
SMILES
CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC
InChI
InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3
InChIKey
PZBLUWVMZMXIKZ-UHFFFAOYSA-N
Compound name
2-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5301
Patents

280.0947 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10198 161.7
[M+Na]+ 303.08392 171.3
[M+NH4]+ 298.12852 166.4
[M+K]+ 319.05786 167.7
[M-H]- 279.08742 160.5
[M+Na-2H]- 301.06937 164.9
[M]+ 280.09415 162.3
[M]- 280.09525 162.3
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

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