CID 71441695

Nona-3,5,7-triyn-1-ol

Structural Information

Molecular Formula

SMILES

CC#CC#CC#CCCO

InChI

InChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h10H,8-9H2,1H3

InChIKey

OMYDFQNJZABHNO-UHFFFAOYSA-N

Compound name

nona-3,5,7-triyn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.05751 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]+	133.06479	155.5
[M+Na]+	155.04673	163.8
[M-H]-	131.05023	158.0
[M+NH4]+	150.09133	164.3
[M+K]+	171.02067	160.5
[M+H-H2O]+	115.05477	144.5
[M+HCOO]-	177.05571	158.9
[M+CH3COO]-	191.07136	223.7
[M+Na-2H]-	153.03218	155.0
[M]+	132.05696	147.9
[M]-	132.05806	147.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.