CID 6434102

Fumaric acid, bis(p-methoxyphenyl) ester

Structural Information

Molecular Formula

C₁₈H₁₆O₆

SMILES

COC1=CC=C(C=C1)OC(=O)/C=C\C(=O)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H16O6/c1-21-13-3-7-15(8-4-13)23-17(19)11-12-18(20)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3/b12-11-

InChIKey

GMPXJJLSVLCCHM-QXMHVHEDSA-N

Compound name

bis(4-methoxyphenyl) (Z)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 328.0947 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]+	329.101976	173.4
[M+Na]+	351.083918	179.9
[M-H]-	327.087424	180.1
[M+NH4]+	346.128523	186.9
[M+K]+	367.057858	178.2
[M+H-H2O]+	311.091960	164.8
[M+HCOO]-	373.092901	196.2
[M+CH3COO]-	387.108551	206.1
[M+Na-2H]-	349.069366	175.7
[M]+	328.09415142	179.6
[M]-	328.09524858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe