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
3
Annotation Hits

0
References

432
Patents

178.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 138.0
[M+Na]+ 201.12499 142.2
[M-H]- 177.12849 138.7
[M+NH4]+ 196.16959 155.0
[M+K]+ 217.09893 141.3
[M+H-H2O]+ 161.13303 135.3
[M+HCOO]- 223.13397 157.9
[M+CH3COO]- 237.14962 174.2
[M+Na-2H]- 199.11044 142.3
[M]+ 178.13522 130.0
[M]- 178.13632 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe