CID 153845

Curcumenone

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(=C1C[C@@H]2[C@H]([C@@]2(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/t12-,13-,15+/m1/s1
InChIKey
HUZJLWLCLJEXEL-NFAWXSAZSA-N
Compound name
(1S,6R,7R)-1-methyl-7-(3-oxobutyl)-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

134
Patents

234.16199 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 154.9
[M+Na]+ 257.151208 163.5
[M-H]- 233.154714 159.9
[M+NH4]+ 252.195813 171.4
[M+K]+ 273.125148 160.2
[M+H-H2O]+ 217.159250 150.4
[M+HCOO]- 279.160191 171.6
[M+CH3COO]- 293.175841 198.7
[M+Na-2H]- 255.136656 156.0
[M]+ 234.16144142 157.6
[M]- 234.16253858 157.6
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.