CID 270567

Mls002706503

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

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

InChI

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

InChIKey

SVMPWMYCQQADHO-UHFFFAOYSA-N

Compound name

(2,6-dimethoxyphenyl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 258.0892 Da
Monoisotopic Mass: 3.3
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	156.7
[M+Na]+	281.07842	171.1
[M+NH4]+	276.12302	164.6
[M+K]+	297.05236	164.3
[M-H]-	257.08192	160.5
[M+Na-2H]-	279.06387	165.5
[M]+	258.08865	159.9
[M]-	258.08975	159.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.