CID 131752034

Faurinone

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC(C)C1CCC2(CCCC2C1C(=O)C)C

InChI

InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3

InChIKey

SSCVGFQOFLDIGI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 222.19836 Da
Monoisotopic Mass: 4.7
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]+	223.205636	156.4
[M+Na]+	245.187578	161.1
[M-H]-	221.191084	159.8
[M+NH4]+	240.232183	179.7
[M+K]+	261.161518	158.7
[M+H-H2O]+	205.195620	151.9
[M+HCOO]-	267.196561	172.0
[M+CH3COO]-	281.212211	193.0
[M+Na-2H]-	243.173026	155.4
[M]+	222.19781142	152.5
[M]-	222.19890858	152.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.