CID 2758409

676348-31-5

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

COC1=C(C=C(C=C1)C2=CC(=CC=C2)C(=O)O)OC

InChI

InChI=1S/C15H14O4/c1-18-13-7-6-11(9-14(13)19-2)10-4-3-5-12(8-10)15(16)17/h3-9H,1-2H3,(H,16,17)

InChIKey

ZDBOLXDKLAYRRK-UHFFFAOYSA-N

Compound name

3-(3,4-dimethoxyphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 258.0892 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.09648	156.9
[M+Na]+	281.07842	171.1
[M+NH4]+	276.12302	164.4
[M+K]+	297.05236	164.8
[M-H]-	257.08192	160.2
[M+Na-2H]-	279.06387	164.9
[M]+	258.08865	159.8
[M]-	258.08975	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe