CID 458161

Diethyl 2-(2-phenoxyethyl)propanedioate

Structural Information

Molecular Formula
C15H20O5
SMILES
CCOC(=O)C(CCOC1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C15H20O5/c1-3-18-14(16)13(15(17)19-4-2)10-11-20-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey
BQUSNYYTAGCIAX-UHFFFAOYSA-N
Compound name
diethyl 2-(2-phenoxyethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

280.13107 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 165.6
[M+Na]+ 303.12029 170.1
[M-H]- 279.12379 168.3
[M+NH4]+ 298.16489 181.0
[M+K]+ 319.09423 169.7
[M+H-H2O]+ 263.12833 158.3
[M+HCOO]- 325.12927 186.7
[M+CH3COO]- 339.14492 198.9
[M+Na-2H]- 301.10574 167.0
[M]+ 280.13052 171.5
[M]- 280.13162 171.5
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