CID 54912426

1083313-05-6

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

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

InChI

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

InChIKey

KCFLWNNJVRWCJC-UHFFFAOYSA-N

Compound name

4-methoxy-3-(3-methoxyphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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	155.7
[M+Na]+	281.07842	163.9
[M-H]-	257.08192	161.7
[M+NH4]+	276.12302	171.9
[M+K]+	297.05236	161.3
[M+H-H2O]+	241.08646	148.4
[M+HCOO]-	303.08740	178.3
[M+CH3COO]-	317.10305	194.3
[M+Na-2H]-	279.06387	159.5
[M]+	258.08865	158.9
[M]-	258.08975	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe