CID 18916326

2,4,7-decatrienoic acid

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC/C=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/h3-4,6-9H,2,5H2,1H3,(H,11,12)/b4-3+,7-6+,9-8+

InChIKey

VNIDZLOWFDROIW-SIRUGEDZSA-N

Compound name

(2E,4E,7E)-deca-2,4,7-trienoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 166.09938 Da
Monoisotopic Mass: 2.6
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]+	167.106656	138.6
[M+Na]+	189.088598	145.0
[M-H]-	165.092104	137.1
[M+NH4]+	184.133203	158.7
[M+K]+	205.062538	141.8
[M+H-H2O]+	149.096640	134.1
[M+HCOO]-	211.097581	160.0
[M+CH3COO]-	225.113231	175.7
[M+Na-2H]-	187.074046	142.0
[M]+	166.09883142	138.8
[M]-	166.09992858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe