CID 5312366

7,9-decadienoic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C=C/C=C/CCCCCC(=O)O

InChI

InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-4H,1,5-9H2,(H,11,12)/b4-3+

InChIKey

XIHMVGZKONUSLB-ONEGZZNKSA-N

Compound name

(7E)-deca-7,9-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 168.11504 Da
Monoisotopic Mass: 2.9
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]+	169.12232	139.9
[M+Na]+	191.10426	145.8
[M-H]-	167.10776	138.2
[M+NH4]+	186.14886	159.8
[M+K]+	207.07820	143.2
[M+H-H2O]+	151.11230	135.2
[M+HCOO]-	213.11324	161.0
[M+CH3COO]-	227.12889	178.0
[M+Na-2H]-	189.08971	143.2
[M]+	168.11449	140.9
[M]-	168.11559	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe