CID 5356793

Muconic acid

Structural Information

Molecular Formula

C₆H₆O₄

SMILES

C(=C/C(=O)O)\C=C\C(=O)O

InChI

InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+

InChIKey

TXXHDPDFNKHHGW-ZPUQHVIOSA-N

Compound name

(2E,4E)-hexa-2,4-dienedioic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 522
References: 43593
Patents: 142.02661 Da
Monoisotopic Mass: 0.2
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]+	143.033886	126.8
[M+Na]+	165.015828	133.9
[M-H]-	141.019334	124.4
[M+NH4]+	160.060433	146.7
[M+K]+	180.989768	132.2
[M+H-H2O]+	125.023870	122.6
[M+HCOO]-	187.024811	147.3
[M+CH3COO]-	201.040461	166.6
[M+Na-2H]-	163.001276	130.4
[M]+	142.02606142	125.7
[M]-	142.02715858	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe