CID 519782

Davanone

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC(C1CCC(O1)(C)C=C)C(=O)CC=C(C)C

InChI

InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3

InChIKey

FJKKZNIYYVEYOL-UHFFFAOYSA-N

Compound name

2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 108
Patents: 236.17763 Da
Monoisotopic Mass: 3.3
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	158.7
[M+Na]+	259.166848	163.6
[M-H]-	235.170354	162.0
[M+NH4]+	254.211453	178.9
[M+K]+	275.140788	162.4
[M+H-H2O]+	219.174890	154.5
[M+HCOO]-	281.175831	176.2
[M+CH3COO]-	295.191481	194.3
[M+Na-2H]-	257.152296	157.6
[M]+	236.17708142	158.7
[M]-	236.17817858	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe