CID 28064018

(2-cyclooctylethyl)amine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

C1CCCC(CCC1)CCN

InChI

InChI=1S/C10H21N/c11-9-8-10-6-4-2-1-3-5-7-10/h10H,1-9,11H2

InChIKey

CYLNFXZMOWHGFB-UHFFFAOYSA-N

Compound name

2-cyclooctylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 155.1674 Da
Monoisotopic Mass: 3.5
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]+	156.174676	143.6
[M+Na]+	178.156618	146.9
[M-H]-	154.160124	144.8
[M+NH4]+	173.201223	152.8
[M+K]+	194.130558	147.3
[M+H-H2O]+	138.164660	140.2
[M+HCOO]-	200.165601	152.7
[M+CH3COO]-	214.181251	220.6
[M+Na-2H]-	176.142066	144.0
[M]+	155.16685142	140.7
[M]-	155.16794858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe