CID 7131303

14588-60-4

Structural Information

Molecular Formula
C16H16O5
SMILES
COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)O
InChI
InChI=1S/C16H16O5/c1-19-13-8-12(16(17)18)9-14(20-2)15(13)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey
OVCCGNWMGBKDIZ-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-4-phenylmethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

288.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 164.5
[M+Na]+ 311.08898 177.9
[M+NH4]+ 306.13358 171.1
[M+K]+ 327.06292 172.0
[M-H]- 287.09248 167.2
[M+Na-2H]- 309.07443 171.7
[M]+ 288.09921 167.1
[M]- 288.10031 167.1
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

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