CID 557594

Lepalol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(=C)C(CCC1=COC=C1)O

InChI

InChI=1S/C10H14O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-7,10-11H,1,3-4H2,2H3

InChIKey

YIVMCXYIUTUOOZ-UHFFFAOYSA-N

Compound name

5-(furan-3-yl)-2-methylpent-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.09938 Da
Monoisotopic Mass: 2.2
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]+	167.10666	137.6
[M+Na]+	189.08860	147.6
[M+NH4]+	184.13320	145.2
[M+K]+	205.06254	144.7
[M-H]-	165.09210	139.1
[M+Na-2H]-	187.07405	141.3
[M]+	166.09883	139.2
[M]-	166.09993	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe