CID 77875

4204-60-8

Structural Information

Molecular Formula
C18H18O6
SMILES
COC(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C18H18O6/c1-21-17(19)13-3-7-15(8-4-13)23-11-12-24-16-9-5-14(6-10-16)18(20)22-2/h3-10H,11-12H2,1-2H3
InChIKey
BBCJQHYOGQEOAA-UHFFFAOYSA-N
Compound name
methyl 4-[2-(4-methoxycarbonylphenoxy)ethoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

46
Patents

330.11035 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 174.6
[M+Na]+ 353.09957 180.7
[M-H]- 329.10307 181.1
[M+NH4]+ 348.14417 187.9
[M+K]+ 369.07351 179.6
[M+H-H2O]+ 313.10761 165.8
[M+HCOO]- 375.10855 197.2
[M+CH3COO]- 389.12420 207.4
[M+Na-2H]- 351.08502 176.8
[M]+ 330.10980 181.5
[M]- 330.11090 181.5
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

No patent data available for this compound.