CID 14632994

Curcumenone

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(=C1CC2C(C2(CC1=O)C)CCC(=O)C)C
InChI
InChI=1S/C15H22O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h12-13H,5-8H2,1-4H3
InChIKey
HUZJLWLCLJEXEL-UHFFFAOYSA-N
Compound name
1-methyl-7-(3-oxobutyl)-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

99
Patents

234.16199 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.0
[M+Na]+ 257.15121 166.6
[M+NH4]+ 252.19581 164.6
[M+K]+ 273.12515 160.5
[M-H]- 233.15471 162.8
[M+Na-2H]- 255.13666 160.9
[M]+ 234.16144 160.0
[M]- 234.16254 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe