CID 15767023

Geranyl decanoate

Structural Information

Molecular Formula

C₂₀H₃₆O₂

SMILES

CCCCCCCCCC(=O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C20H36O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h13,16H,5-12,14-15,17H2,1-4H3/b19-16+

InChIKey

ICAWXCQTUNYABR-KNTRCKAVSA-N

Compound name

[(2E)-3,7-dimethylocta-2,6-dienyl] decanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 308.27155 Da
Monoisotopic Mass: 7.5
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]+	309.27883	186.0
[M+Na]+	331.26077	187.9
[M-H]-	307.26427	184.1
[M+NH4]+	326.30537	201.0
[M+K]+	347.23471	184.5
[M+H-H2O]+	291.26881	179.4
[M+HCOO]-	353.26975	203.4
[M+CH3COO]-	367.28540	211.0
[M+Na-2H]-	329.24622	181.9
[M]+	308.27100	191.3
[M]-	308.27210	191.3

Literature stripe

literature stripe

Patent stripe

patents stripe