CID 175306

72928-47-3

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CCCC=C(CC)C=CC(=O)O

InChI

InChI=1S/C10H16O2/c1-3-5-6-9(4-2)7-8-10(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)

InChIKey

BUTSDNCRRVJDHN-UHFFFAOYSA-N

Compound name

4-ethylocta-2,4-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.11504 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]+	169.12232	141.1
[M+Na]+	191.10426	149.9
[M+NH4]+	186.14886	147.3
[M+K]+	207.07820	144.6
[M-H]-	167.10776	138.9
[M+Na-2H]-	189.08971	142.5
[M]+	168.11449	141.3
[M]-	168.11559	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.