CID 131752706

Tuberonone

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC(C)C1CC(C(=C)C2C1C(CC2)C(=O)C)O

InChI

InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3

InChIKey

JNIVOKDEGVTPPC-UHFFFAOYSA-N

Compound name

1-(5-hydroxy-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 236.17763 Da
Monoisotopic Mass: 2.2
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	157.7
[M+Na]+	259.166848	163.0
[M-H]-	235.170354	160.1
[M+NH4]+	254.211453	178.1
[M+K]+	275.140788	159.7
[M+H-H2O]+	219.174890	153.4
[M+HCOO]-	281.175831	172.2
[M+CH3COO]-	295.191481	194.6
[M+Na-2H]-	257.152296	154.1
[M]+	236.17708142	153.3
[M]-	236.17817858	153.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.