CID 6437283

4,8-cyclododecadienol, acetate

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CC(=O)OC1CCC/C=C/CC/C=C\CC1

InChI

InChI=1S/C14H22O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h3,5-6,8,14H,2,4,7,9-12H2,1H3/b5-3+,8-6-

InChIKey

SNNVDGLEOWNXND-GMWFMGJWSA-N

Compound name

[(4Z,8E)-cyclododeca-4,8-dien-1-yl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 222.16199 Da
Monoisotopic Mass: 3.8
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]+	223.169266	150.9
[M+Na]+	245.151208	154.1
[M-H]-	221.154714	151.3
[M+NH4]+	240.195813	166.0
[M+K]+	261.125148	153.6
[M+H-H2O]+	205.159250	147.8
[M+HCOO]-	267.160191	169.4
[M+CH3COO]-	281.175841	182.3
[M+Na-2H]-	243.136656	152.8
[M]+	222.16144142	144.3
[M]-	222.16253858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.