CID 16969

1,8-nonadiyne

Structural Information

Molecular Formula

C₉H₁₂

SMILES

C#CCCCCCC#C

InChI

InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2

InChIKey

DMOVPHYFYSASTC-UHFFFAOYSA-N

Compound name

nona-1,8-diyne

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 289
Patents: 120.0939 Da
Monoisotopic Mass: 3.0
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]+	121.10118	151.0
[M+Na]+	143.08312	159.5
[M+NH4]+	138.12772	152.1
[M+K]+	159.05706	149.0
[M-H]-	119.08662	139.5
[M+Na-2H]-	141.06857	149.5
[M]+	120.09335	147.7
[M]-	120.09445	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe