CID 601176

4,8-cyclododecadien-1-one

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

C1CC=CCCC=CCCC(=O)C1

InChI

InChI=1S/C12H18O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h2,4-5,7H,1,3,6,8-11H2

InChIKey

AZSAUMXEXMBZBS-UHFFFAOYSA-N

Compound name

cyclododeca-4,8-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
Patents: 178.13577 Da
Monoisotopic Mass: 2.8
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]+	179.14305	139.6
[M+Na]+	201.12499	151.0
[M+NH4]+	196.16959	148.0
[M+K]+	217.09893	143.4
[M-H]-	177.12849	142.9
[M+Na-2H]-	199.11044	147.0
[M]+	178.13522	141.8
[M]-	178.13632	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe