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
2
Annotation Hits

5
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

literature stripe

Patent stripe

patents stripe