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]+	167.106656	138.3
[M+Na]+	189.088598	144.5
[M-H]-	165.092104	140.9
[M+NH4]+	184.133203	158.5
[M+K]+	205.062538	143.9
[M+H-H2O]+	149.096640	133.2
[M+HCOO]-	211.097581	159.4
[M+CH3COO]-	225.113231	176.6
[M+Na-2H]-	187.074046	141.6
[M]+	166.09883142	138.8
[M]-	166.09992858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe