CID 140536

2-nonyne

Structural Information

Molecular Formula

C₉H₁₆

SMILES

CCCCCCC#CC

InChI

InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7-9H2,1-2H3

InChIKey

LXKRETAGISZJAD-UHFFFAOYSA-N

Compound name

non-2-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2347
Patents: 124.1252 Da
Monoisotopic Mass: 4.0
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]+	125.13248	125.9
[M+Na]+	147.11442	134.7
[M-H]-	123.11792	125.5
[M+NH4]+	142.15902	146.3
[M+K]+	163.08836	132.6
[M+H-H2O]+	107.12246	115.7
[M+HCOO]-	169.12340	143.5
[M+CH3COO]-	183.13905	183.1
[M+Na-2H]-	145.09987	131.4
[M]+	124.12465	122.5
[M]-	124.12575	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe