CID 19602

2-pentylfuran

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CCCCCC1=CC=CO1

InChI

InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

InChIKey

YVBAUDVGOFCUSG-UHFFFAOYSA-N

Compound name

2-pentylfuran

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 58
References: 3204
Patents: 138.10446 Da
Monoisotopic Mass: 3.7
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]+	139.11174	129.3
[M+Na]+	161.09368	141.2
[M+NH4]+	156.13828	138.6
[M+K]+	177.06762	136.2
[M-H]-	137.09718	132.6
[M+Na-2H]-	159.07913	135.3
[M]+	138.10391	131.9
[M]-	138.10501	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe