CID 21158961

2,4,6-decatrienoic acid, (e,e,z)-

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCC/C=C\C=C\C=C\C(=O)O

InChI

InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-9H,2-3H2,1H3,(H,11,12)/b5-4-,7-6+,9-8+

InChIKey

FELONIKRCJBDIO-AYTOVCQNSA-N

Compound name

(2E,4E,6Z)-deca-2,4,6-trienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 166.09938 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]+	167.10666	138.6
[M+Na]+	189.08860	145.0
[M-H]-	165.09210	137.1
[M+NH4]+	184.13320	158.7
[M+K]+	205.06254	141.8
[M+H-H2O]+	149.09664	134.1
[M+HCOO]-	211.09758	160.0
[M+CH3COO]-	225.11323	175.7
[M+Na-2H]-	187.07405	142.0
[M]+	166.09883	138.8
[M]-	166.09993	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe