CID 9543133

2-hydroxy-6-keto-nona-2,4-dienedioate

Structural Information

Molecular Formula

C₉H₁₀O₆

SMILES

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

InChI

InChI=1S/C9H10O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15)/b2-1-,7-3+

InChIKey

RFENOVFRMPRRJI-AFCKVHGPSA-N

Compound name

(2E,4Z)-2-hydroxy-6-oxonona-2,4-dienedioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 22
Patents: 214.04774 Da
Monoisotopic Mass: -0.4
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]+	215.055016	144.6
[M+Na]+	237.036958	149.7
[M-H]-	213.040464	140.3
[M+NH4]+	232.081563	160.4
[M+K]+	253.010898	147.9
[M+H-H2O]+	197.045000	139.8
[M+HCOO]-	259.045941	161.3
[M+CH3COO]-	273.061591	178.7
[M+Na-2H]-	235.022406	143.7
[M]+	214.04719142	143.7
[M]-	214.04828858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe