CID 6313368

2,4-dihydroxy-hept-trans-2-ene-1,7-dioate

Structural Information

Molecular Formula

C₇H₁₀O₆

SMILES

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

InChI

InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)/b5-3+

InChIKey

APNIDHDQYISZAE-HWKANZROSA-N

Compound name

(E)-2,4-dihydroxyhept-2-enedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3
Patents: 190.04774 Da
Monoisotopic Mass: -0.9
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]+	191.055016	139.3
[M+Na]+	213.036958	144.1
[M-H]-	189.040464	133.8
[M+NH4]+	208.081563	155.4
[M+K]+	229.010898	143.1
[M+H-H2O]+	173.045000	134.7
[M+HCOO]-	235.045941	154.6
[M+CH3COO]-	249.061591	172.8
[M+Na-2H]-	211.022406	138.7
[M]+	190.04719142	137.1
[M]-	190.04828858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe