CID 109263

68259-33-6

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=C2CC(C(C1)C(C2)C(=O)C)C(C)C
InChI
InChI=1S/C14H22O/c1-8(2)12-6-11-7-13(10(4)15)14(12)5-9(11)3/h8,12-14H,5-7H2,1-4H3
InChIKey
GNALWRWCIFZYEK-UHFFFAOYSA-N
Compound name
1-(5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-4-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

206.16707 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 145.1
[M+Na]+ 229.15629 155.7
[M+NH4]+ 224.20089 155.9
[M+K]+ 245.13023 148.8
[M-H]- 205.15979 143.8
[M+Na-2H]- 227.14174 142.9
[M]+ 206.16652 146.2
[M]- 206.16762 146.2
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