CID 115849

64677-48-1

Structural Information

Molecular Formula

C₁₃H₂₂O₂

SMILES

CCCCCC=CC(CC=C)OC(=O)C

InChI

InChI=1S/C13H22O2/c1-4-6-7-8-9-11-13(10-5-2)15-12(3)14/h5,9,11,13H,2,4,6-8,10H2,1,3H3

InChIKey

ZONKUAQAAHCPFG-UHFFFAOYSA-N

Compound name

undeca-1,5-dien-4-yl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 210.16199 Da
Monoisotopic Mass: 4.2
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]+	211.16927	153.4
[M+Na]+	233.15121	158.3
[M-H]-	209.15471	152.7
[M+NH4]+	228.19581	172.3
[M+K]+	249.12515	156.3
[M+H-H2O]+	193.15925	148.0
[M+HCOO]-	255.16019	174.1
[M+CH3COO]-	269.17584	189.9
[M+Na-2H]-	231.13666	154.3
[M]+	210.16144	156.7
[M]-	210.16254	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe