CID 106187

Ns00055036

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

C1CCCCC(CCC1)O

InChI

InChI=1S/C9H18O/c10-9-7-5-3-1-2-4-6-8-9/h9-10H,1-8H2

InChIKey

UDEKCKABZJKCKG-UHFFFAOYSA-N

Compound name

cyclononanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 716
Patents: 142.13577 Da
Monoisotopic Mass: 2.1
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]+	143.143046	180.5
[M+Na]+	165.124988	183.4
[M-H]-	141.128494	180.9
[M+NH4]+	160.169593	181.2
[M+K]+	181.098928	181.1
[M+H-H2O]+	125.133030	172.6
[M+HCOO]-	187.133971	182.2
[M+CH3COO]-	201.149621	183.1
[M+Na-2H]-	163.110436	184.6
[M]+	142.13522142	181.6
[M]-	142.13631858	181.6

Literature stripe

literature stripe

Patent stripe

patents stripe