CID 44630277

33926-25-9

Structural Information

Molecular Formula
C18H18O6
SMILES
CCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)OCC
InChI
InChI=1S/C18H18O6/c1-3-21-14-9-11-15(12-10-14)23-17(19)13-5-7-16(8-6-13)24-18(20)22-4-2/h5-12H,3-4H2,1-2H3
InChIKey
NRRSSIQKLMBWJB-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl) 4-ethoxycarbonyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

330.11035 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 174.8
[M+Na]+ 353.09957 181.0
[M-H]- 329.10307 181.4
[M+NH4]+ 348.14417 188.3
[M+K]+ 369.07351 179.9
[M+H-H2O]+ 313.10761 166.1
[M+HCOO]- 375.10855 197.4
[M+CH3COO]- 389.12420 206.8
[M+Na-2H]- 351.08502 177.1
[M]+ 330.10980 181.7
[M]- 330.11090 181.7
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