CID 140650

4-nonyne

Structural Information

Molecular Formula

C₉H₁₆

SMILES

CCCCC#CCCC

InChI

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

InChIKey

RAYTXPDVKZFUEI-UHFFFAOYSA-N

Compound name

non-4-yne

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1039
Patents: 124.1252 Da
Monoisotopic Mass: 3.9
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]+	125.132476	126.2
[M+Na]+	147.114418	135.1
[M-H]-	123.117924	125.9
[M+NH4]+	142.159023	146.7
[M+K]+	163.088358	133.0
[M+H-H2O]+	107.122460	116.0
[M+HCOO]-	169.123401	143.8
[M+CH3COO]-	183.139051	182.5
[M+Na-2H]-	145.099866	131.7
[M]+	124.12465142	122.7
[M]-	124.12574858	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe