CID 18937

1-nonyne

Structural Information

Molecular Formula

C₉H₁₆

SMILES

CCCCCCCC#C

InChI

InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3

InChIKey

OSSQSXOTMIGBCF-UHFFFAOYSA-N

Compound name

non-1-yne

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 9524
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	125.6
[M+Na]+	147.11442	134.3
[M-H]-	123.11792	125.2
[M+NH4]+	142.15902	145.9
[M+K]+	163.08836	132.2
[M+H-H2O]+	107.12246	115.3
[M+HCOO]-	169.12340	143.2
[M+CH3COO]-	183.13905	183.7
[M+Na-2H]-	145.09987	131.1
[M]+	124.12465	122.2
[M]-	124.12575	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe