CID 77408

2-hexylfuran

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CCCCCCC1=CC=CO1

InChI

InChI=1S/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3

InChIKey

XBLCAKKYMZVLPU-UHFFFAOYSA-N

Compound name

2-hexylfuran

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1316
Patents: 152.12012 Da
Monoisotopic Mass: 4.2
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]+	153.127396	134.2
[M+Na]+	175.109338	141.2
[M-H]-	151.112844	138.0
[M+NH4]+	170.153943	156.0
[M+K]+	191.083278	140.8
[M+H-H2O]+	135.117380	128.9
[M+HCOO]-	197.118321	158.5
[M+CH3COO]-	211.133971	176.5
[M+Na-2H]-	173.094786	140.6
[M]+	152.11957142	137.2
[M]-	152.12066858	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe