CID 877933

351336-10-2

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C17H16O5/c1-20-16-9-13(10-18)5-8-15(16)22-11-12-3-6-14(7-4-12)17(19)21-2/h3-10H,11H2,1-2H3
InChIKey
SXQFUFPFCNTWEB-UHFFFAOYSA-N
Compound name
methyl 4-[(4-formyl-2-methoxyphenoxy)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

300.09976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 167.5
[M+Na]+ 323.08898 181.4
[M+NH4]+ 318.13358 174.1
[M+K]+ 339.06292 174.8
[M-H]- 299.09248 170.5
[M+Na-2H]- 321.07443 175.0
[M]+ 300.09921 170.3
[M]- 300.10031 170.3
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