CID 20833815

(z)-2-pentenyl (2e,4z)-2,4-decadienoate

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CCCCC/C=C\C=C\C(=O)OC/C=C\CC

InChI

InChI=1S/C15H24O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h6,9-13H,3-5,7-8,14H2,1-2H3/b10-9-,12-6-,13-11+

InChIKey

WQRLQNWZYYQVAR-BFSZIFPZSA-N

Compound name

[(Z)-pent-2-enyl] (2E,4Z)-deca-2,4-dienoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.17763 Da
Monoisotopic Mass: 4.9
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]+	237.184906	160.8
[M+Na]+	259.166848	165.7
[M-H]-	235.170354	159.9
[M+NH4]+	254.211453	178.9
[M+K]+	275.140788	162.1
[M+H-H2O]+	219.174890	155.1
[M+HCOO]-	281.175831	182.1
[M+CH3COO]-	295.191481	192.9
[M+Na-2H]-	257.152296	162.1
[M]+	236.17708142	164.8
[M]-	236.17817858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.