CID 89559

21963-26-8

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CCCCCC1C=CC(=O)O1

InChI

InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6-8H,2-5H2,1H3

InChIKey

MXZSZHJBUODOJK-UHFFFAOYSA-N

Compound name

2-pentyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 231
Patents: 154.09938 Da
Monoisotopic Mass: 2.6
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]+	155.10666	133.1
[M+Na]+	177.08860	144.0
[M+NH4]+	172.13320	141.5
[M+K]+	193.06254	139.8
[M-H]-	153.09210	135.5
[M+Na-2H]-	175.07405	137.3
[M]+	154.09883	135.2
[M]-	154.09993	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe