CID 2741806

Maybridge1_007946

Structural Information

Molecular Formula
C16H16O5
SMILES
COC1=CC(=CC=C1)OC2=C(C=C(C=C2)OC)C(=O)OC
InChI
InChI=1S/C16H16O5/c1-18-11-5-4-6-13(9-11)21-15-8-7-12(19-2)10-14(15)16(17)20-3/h4-10H,1-3H3
InChIKey
LVGQLGNCXZUEJL-UHFFFAOYSA-N
Compound name
methyl 5-methoxy-2-(3-methoxyphenoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

288.09976 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.107036 163.1
[M+Na]+ 311.088978 171.2
[M-H]- 287.092484 170.3
[M+NH4]+ 306.133583 178.7
[M+K]+ 327.062918 169.9
[M+H-H2O]+ 271.097020 155.0
[M+HCOO]- 333.097961 187.0
[M+CH3COO]- 347.113611 201.2
[M+Na-2H]- 309.074426 166.9
[M]+ 288.09921142 169.8
[M]- 288.10030858 169.8
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.