CID 78473

Cyclooctylmethylamine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

C1CCCC(CCC1)CN

InChI

InChI=1S/C9H19N/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-8,10H2

InChIKey

GQOIKWAYFXTZOK-UHFFFAOYSA-N

Compound name

cyclooctylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 179
Patents: 141.15175 Da
Monoisotopic Mass: 2.7
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]+	142.159026	141.4
[M+Na]+	164.140968	144.8
[M-H]-	140.144474	142.6
[M+NH4]+	159.185573	150.8
[M+K]+	180.114908	145.4
[M+H-H2O]+	124.149010	138.0
[M+HCOO]-	186.149951	150.6
[M+CH3COO]-	200.165601	219.3
[M+Na-2H]-	162.126416	142.0
[M]+	141.15120142	138.3
[M]-	141.15229858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe