CID 106187

67939-83-7

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

1
Annotation Hits: 0
References: 679
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]+	143.14305	180.5
[M+Na]+	165.12499	183.4
[M-H]-	141.12849	180.9
[M+NH4]+	160.16959	181.2
[M+K]+	181.09893	181.1
[M+H-H2O]+	125.13303	172.6
[M+HCOO]-	187.13397	182.2
[M+CH3COO]-	201.14962	183.1
[M+Na-2H]-	163.11044	184.6
[M]+	142.13522	181.6
[M]-	142.13632	181.6

Literature stripe

literature stripe

Patent stripe

patents stripe