CID 15503524

Lentialexin

Structural Information

Molecular Formula

SMILES

C=CC#CC#CCCO

InChI

InChI=1S/C8H8O/c1-2-3-4-5-6-7-8-9/h2,9H,1,7-8H2

InChIKey

AGWFAJXETXIOEE-UHFFFAOYSA-N

Compound name

oct-7-en-3,5-diyn-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 120.05752 Da
Monoisotopic Mass: 1.4
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]+	121.06480	151.6
[M+Na]+	143.04674	159.6
[M+NH4]+	138.09134	152.0
[M+K]+	159.02068	149.5
[M-H]-	119.05024	139.2
[M+Na-2H]-	141.03219	149.3
[M]+	120.05697	147.9
[M]-	120.05807	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe