CID 78178011

(4s)-dihydrocurcumenone

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC(CCC1C2C1(CC(=O)C(=C(C)C)C2)C)O

InChI

InChI=1S/C15H24O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h10,12-13,16H,5-8H2,1-4H3

InChIKey

OQZCUYXRSFWCJU-UHFFFAOYSA-N

Compound name

7-(3-hydroxybutyl)-1-methyl-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.17763 Da
Monoisotopic Mass: 2.9
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]+	237.184906	155.5
[M+Na]+	259.166848	163.5
[M-H]-	235.170354	159.2
[M+NH4]+	254.211453	171.4
[M+K]+	275.140788	159.9
[M+H-H2O]+	219.174890	151.4
[M+HCOO]-	281.175831	170.6
[M+CH3COO]-	295.191481	197.1
[M+Na-2H]-	257.152296	156.3
[M]+	236.17708142	157.2
[M]-	236.17817858	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe