CID 108695

55334-51-5

Structural Information

Molecular Formula
C18H16O6
SMILES
COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C18H16O6/c1-22-16(19)13-5-3-12(4-6-13)11-24-18(21)15-9-7-14(8-10-15)17(20)23-2/h3-10H,11H2,1-2H3
InChIKey
ITTJRGPCQAAFGL-UHFFFAOYSA-N
Compound name
4-O-[(4-methoxycarbonylphenyl)methyl] 1-O-methyl benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 173.2
[M+Na]+ 351.08392 185.3
[M+NH4]+ 346.12852 178.5
[M+K]+ 367.05786 180.5
[M-H]- 327.08742 174.9
[M+Na-2H]- 349.06937 179.4
[M]+ 328.09415 175.1
[M]- 328.09525 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.