CID 12308753

(s)-bilobanone

Structural Information

Molecular Formula

C₁₅H₂₀O₂

SMILES

CC1=CCC(CC1=O)C2=COC(=C2)CC(C)C

InChI

InChI=1S/C15H20O2/c1-10(2)6-14-7-13(9-17-14)12-5-4-11(3)15(16)8-12/h4,7,9-10,12H,5-6,8H2,1-3H3

InChIKey

ORQIZUYAGXZVPI-UHFFFAOYSA-N

Compound name

2-methyl-5-[5-(2-methylpropyl)furan-3-yl]cyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 98
Patents: 232.14633 Da
Monoisotopic Mass: 3.4
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]+	233.15361	154.3
[M+Na]+	255.13555	166.5
[M+NH4]+	250.18015	162.8
[M+K]+	271.10949	161.9
[M-H]-	231.13905	159.1
[M+Na-2H]-	253.12100	159.6
[M]+	232.14578	157.4
[M]-	232.14688	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe