CID 3085589

Ethanone, 1-[methyl-1,5,9(or 2,6,10)-cyclododecatrien-1-yl]-

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CCCC=C(CCC=CCC1)C(=O)C
InChI
InChI=1S/C15H22O/c1-13-9-5-3-4-6-11-15(14(2)16)12-8-7-10-13/h3-4,10,12H,5-9,11H2,1-2H3
InChIKey
IBCBTMDFULHIOO-UHFFFAOYSA-N
Compound name
1-(6-methylcyclododeca-1,5,9-trien-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 150.2
[M+Na]+ 241.15629 162.0
[M+NH4]+ 236.20089 158.1
[M+K]+ 257.13023 154.6
[M-H]- 217.15979 153.4
[M+Na-2H]- 239.14174 157.3
[M]+ 218.16652 152.5
[M]- 218.16762 152.5
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

No patent data available for this compound.