CID 18069804

2994298-43-8

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC1CCC(CC1)OCCCN

InChI

InChI=1S/C10H21NO/c1-9-3-5-10(6-4-9)12-8-2-7-11/h9-10H,2-8,11H2,1H3

InChIKey

PSAHBIUFUZYWAB-UHFFFAOYSA-N

Compound name

3-(4-methylcyclohexyl)oxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.16231 Da
Monoisotopic Mass: 1.6
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	141.4
[M+Na]+	194.151528	145.3
[M-H]-	170.155034	143.4
[M+NH4]+	189.196133	161.2
[M+K]+	210.125468	143.9
[M+H-H2O]+	154.159570	135.4
[M+HCOO]-	216.160511	161.8
[M+CH3COO]-	230.176161	182.8
[M+Na-2H]-	192.136976	144.5
[M]+	171.16176142	137.4
[M]-	171.16285858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.