CID 3085588

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

Structural Information

Molecular Formula
C17H24O
SMILES
CC=CC(=O)C1=CCCC=C(CCC=CCC1)C
InChI
InChI=1S/C17H24O/c1-3-10-17(18)16-13-7-5-4-6-11-15(2)12-8-9-14-16/h3-5,10,12,14H,6-9,11,13H2,1-2H3
InChIKey
UKGBTZQRUMBTFA-UHFFFAOYSA-N
Compound name
1-(6-methylcyclododeca-1,5,9-trien-1-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18999 158.5
[M+Na]+ 267.17193 170.0
[M+NH4]+ 262.21653 165.8
[M+K]+ 283.14587 161.9
[M-H]- 243.17543 161.4
[M+Na-2H]- 265.15738 164.9
[M]+ 244.18216 160.6
[M]- 244.18326 160.6
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.