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 166.4
[M+Na]+ 323.08898 174.3
[M-H]- 299.09248 173.5
[M+NH4]+ 318.13358 181.5
[M+K]+ 339.06292 172.3
[M+H-H2O]+ 283.09702 158.2
[M+HCOO]- 345.09796 190.2
[M+CH3COO]- 359.11361 203.4
[M+Na-2H]- 321.07443 169.7
[M]+ 300.09921 172.8
[M]- 300.10031 172.8
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