CID 10954516

(2e,4e)-2,7-dimethyl-2,4-octadienedioic acid

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

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

InChI

InChI=1S/C10H14O4/c1-7(9(11)12)5-3-4-6-8(2)10(13)14/h3-5,8H,6H2,1-2H3,(H,11,12)(H,13,14)/b4-3+,7-5+

InChIKey

ZBXYMKUZCWCGPC-BDWKERMESA-N

Compound name

(2E,4E)-2,7-dimethylocta-2,4-dienedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 198.0892 Da
Monoisotopic Mass: 1.6
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]+	199.096476	145.1
[M+Na]+	221.078418	150.2
[M-H]-	197.081924	142.2
[M+NH4]+	216.123023	162.7
[M+K]+	237.052358	148.5
[M+H-H2O]+	181.086460	140.5
[M+HCOO]-	243.087401	162.4
[M+CH3COO]-	257.103051	180.6
[M+Na-2H]-	219.063866	144.1
[M]+	198.08865142	144.3
[M]-	198.08974858	144.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.