CID 103559

51943-99-8

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 190.2
[M+Na]+ 415.13635 197.2
[M+NH4]+ 410.18095 193.2
[M+K]+ 431.11029 196.1
[M-H]- 391.13985 189.0
[M+Na-2H]- 413.12180 191.0
[M]+ 392.14658 190.1
[M]- 392.14768 190.1
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.