CID 12668

Cyclododeca-1,5,9-triene

Structural Information

Molecular Formula

C₁₂H₁₈

SMILES

C1CC=CCCC=CCCC=C1

InChI

InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2

InChIKey

ZOLLIQAKMYWTBR-UHFFFAOYSA-N

Compound name

cyclododeca-1,5,9-triene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 16
References: 5956
Patents: 162.14085 Da
Monoisotopic Mass: 4.5
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]+	163.14813	136.0
[M+Na]+	185.13007	148.4
[M+NH4]+	180.17467	145.3
[M+K]+	201.10401	140.0
[M-H]-	161.13357	140.2
[M+Na-2H]-	183.11552	145.2
[M]+	162.14030	138.7
[M]-	162.14140	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe