CID 15252700

Ethyl (e)-7,9-decadienoate

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CCOC(=O)CCCCC/C=C/C=C

InChI

InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3,5-6H,1,4,7-11H2,2H3/b6-5+

InChIKey

SLYLYHJYVPCWAP-AATRIKPKSA-N

Compound name

ethyl (7E)-deca-7,9-dienoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 196.14633 Da
Monoisotopic Mass: 3.6
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]+	197.15361	148.4
[M+Na]+	219.13555	154.0
[M-H]-	195.13905	147.9
[M+NH4]+	214.18015	168.0
[M+K]+	235.10949	151.9
[M+H-H2O]+	179.14359	143.1
[M+HCOO]-	241.14453	170.4
[M+CH3COO]-	255.16018	186.1
[M+Na-2H]-	217.12100	151.2
[M]+	196.14578	152.1
[M]-	196.14688	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe