CID 115849

1,5-undecadien-4-ol, acetate

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: 1
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]+	211.169266	153.4
[M+Na]+	233.151208	158.3
[M-H]-	209.154714	152.7
[M+NH4]+	228.195813	172.3
[M+K]+	249.125148	156.3
[M+H-H2O]+	193.159250	148.0
[M+HCOO]-	255.160191	174.1
[M+CH3COO]-	269.175841	189.9
[M+Na-2H]-	231.136656	154.3
[M]+	210.16144142	156.7
[M]-	210.16253858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe