CID 103559

Einecs 257-536-5

Structural Information

Molecular Formula
C20H24O8
SMILES
CCOC(=O)OC1=CC(=C(C=C1)OC(=O)OCC)CCC(=O)C2CCCC2=O
InChI
InChI=1S/C20H24O8/c1-3-25-19(23)27-14-9-11-18(28-20(24)26-4-2)13(12-14)8-10-17(22)15-6-5-7-16(15)21/h9,11-12,15H,3-8,10H2,1-2H3
InChIKey
NYIMCVQWRVGZPE-UHFFFAOYSA-N
Compound name
[4-ethoxycarbonyloxy-2-[3-oxo-3-(2-oxocyclopentyl)propyl]phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.14713 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15441 189.1
[M+Na]+ 415.13635 193.1
[M-H]- 391.13985 195.1
[M+NH4]+ 410.18095 201.7
[M+K]+ 431.11029 192.8
[M+H-H2O]+ 375.14439 181.6
[M+HCOO]- 437.14533 208.7
[M+CH3COO]- 451.16098 217.6
[M+Na-2H]- 413.12180 185.1
[M]+ 392.14658 195.9
[M]- 392.14768 195.9
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.