CID 6451194

Furopelargone a

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

C[C@H]1CC[C@H]([C@H]1C2=C(C=CO2)C(C)C)C(=O)C

InChI

InChI=1S/C15H22O2/c1-9(2)12-7-8-17-15(12)14-10(3)5-6-13(14)11(4)16/h7-10,13-14H,5-6H2,1-4H3/t10-,13-,14-/m0/s1

InChIKey

DVIZGXBTTFXQQC-BPNCWPANSA-N

Compound name

1-[(1R,2S,3S)-3-methyl-2-(3-propan-2-ylfuran-2-yl)cyclopentyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.16199 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]+	235.169266	157.1
[M+Na]+	257.151208	163.6
[M-H]-	233.154714	164.6
[M+NH4]+	252.195813	177.5
[M+K]+	273.125148	162.6
[M+H-H2O]+	217.159250	152.2
[M+HCOO]-	279.160191	177.4
[M+CH3COO]-	293.175841	194.4
[M+Na-2H]-	255.136656	154.4
[M]+	234.16144142	158.0
[M]-	234.16253858	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.