CID 5317414

Fukinone

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

C[C@H]1CCC[C@H]2[C@@]1(CC(=C(C)C)C(=O)C2)C

InChI

InChI=1S/C15H24O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h11-12H,5-9H2,1-4H3/t11-,12+,15+/m0/s1

InChIKey

HMLGXKHWABZSIS-YWPYICTPSA-N

Compound name

(4aR,5S,8aR)-4a,5-dimethyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 220.18271 Da
Monoisotopic Mass: 4.6
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]+	221.189986	152.2
[M+Na]+	243.171928	157.5
[M-H]-	219.175434	155.7
[M+NH4]+	238.216533	174.1
[M+K]+	259.145868	154.5
[M+H-H2O]+	203.179970	147.3
[M+HCOO]-	265.180911	166.9
[M+CH3COO]-	279.196561	192.2
[M+Na-2H]-	241.157376	153.4
[M]+	220.18216142	146.5
[M]-	220.18325858	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe