CID 5312358

3,5-decadienoic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

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

InChI

InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-8H,2-4,9H2,1H3,(H,11,12)/b6-5+,8-7+

InChIKey

NIXJSSSDLHOVCL-BSWSSELBSA-N

Compound name

(3E,5E)-deca-3,5-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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	140.1
[M+Na]+	191.10426	146.1
[M-H]-	167.10776	138.5
[M+NH4]+	186.14886	160.1
[M+K]+	207.07820	143.5
[M+H-H2O]+	151.11230	135.4
[M+HCOO]-	213.11324	161.2
[M+CH3COO]-	227.12889	177.3
[M+Na-2H]-	189.08971	143.4
[M]+	168.11449	141.0
[M]-	168.11559	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe