CID 85710

14294-62-3

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CCCCCC(C1=CC=CO1)O

InChI

InChI=1S/C10H16O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-9,11H,2-4,6H2,1H3

InChIKey

DWNAWEKBEBTKDE-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)hexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 27
Patents: 168.11504 Da
Monoisotopic Mass: 2.5
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]+	169.122316	138.9
[M+Na]+	191.104258	145.1
[M-H]-	167.107764	141.4
[M+NH4]+	186.148863	159.2
[M+K]+	207.078198	144.6
[M+H-H2O]+	151.112300	133.6
[M+HCOO]-	213.113241	160.9
[M+CH3COO]-	227.128891	176.6
[M+Na-2H]-	189.089706	143.5
[M]+	168.11449142	140.8
[M]-	168.11558858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe