CID 28674201

2305254-58-2

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

COCCCNC1CCCCC1

InChI

InChI=1S/C10H21NO/c1-12-9-5-8-11-10-6-3-2-4-7-10/h10-11H,2-9H2,1H3

InChIKey

GZXHFRKMXHGGAN-UHFFFAOYSA-N

Compound name

N-(3-methoxypropyl)cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 171.16231 Da
Monoisotopic Mass: 1.8
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]+	172.169586	141.1
[M+Na]+	194.151528	144.0
[M-H]-	170.155034	143.2
[M+NH4]+	189.196133	160.8
[M+K]+	210.125468	143.0
[M+H-H2O]+	154.159570	134.7
[M+HCOO]-	216.160511	162.1
[M+CH3COO]-	230.176161	182.3
[M+Na-2H]-	192.136976	146.0
[M]+	171.16176142	137.7
[M]-	171.16285858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe