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

3
Annotation Hits: 13
References: 136
Patents: 234.16199 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.16927	154.9
[M+Na]+	257.15121	163.5
[M-H]-	233.15471	159.9
[M+NH4]+	252.19581	171.4
[M+K]+	273.12515	160.2
[M+H-H2O]+	217.15925	150.4
[M+HCOO]-	279.16019	171.6
[M+CH3COO]-	293.17584	198.7
[M+Na-2H]-	255.13666	156.0
[M]+	234.16144	157.6
[M]-	234.16254	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe