CID 5281162

3025-30-7

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CCCCC/C=C\C=C\C(=O)OCC

InChI

InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+

InChIKey

OPCRGEVPIBLWAY-QNRZBPGKSA-N

Compound name

ethyl (2E,4Z)-deca-2,4-dienoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 16
References: 3395
Patents: 196.14633 Da
Monoisotopic Mass: 4.0
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]+	197.153606	148.6
[M+Na]+	219.135548	154.3
[M-H]-	195.139054	148.2
[M+NH4]+	214.180153	168.3
[M+K]+	235.109488	152.2
[M+H-H2O]+	179.143590	143.4
[M+HCOO]-	241.144531	170.7
[M+CH3COO]-	255.160181	185.4
[M+Na-2H]-	217.120996	151.4
[M]+	196.14578142	152.2
[M]-	196.14687858	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe