CID 136739

3618-11-9

Structural Information

Molecular Formula

C₉H₁₆

SMILES

C1CCCC=CCCC1

InChI

InChI=1S/C9H16/c1-2-4-6-8-9-7-5-3-1/h1-2H,3-9H2

InChIKey

BESIOWGPXPAVOS-UHFFFAOYSA-N

Compound name

cyclononene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 4221
Patents: 124.1252 Da
Monoisotopic Mass: 4.1
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	178.2
[M+Na]+	147.11442	181.0
[M-H]-	123.11792	178.6
[M+NH4]+	142.15902	178.9
[M+K]+	163.08836	178.9
[M+H-H2O]+	107.12246	170.3
[M+HCOO]-	169.12340	179.9
[M+CH3COO]-	183.13905	180.9
[M+Na-2H]-	145.09987	182.5
[M]+	124.12465	179.3
[M]-	124.12575	179.3

Literature stripe

literature stripe

Patent stripe

patents stripe