CID 25851

N,n-dimethyl-2-((2-ethyl-1-o-tolylcyclohexyl)oxy)ethylamine hydrochloride

Structural Information

Molecular Formula

C₁₉H₃₁NO

SMILES

CCC1CCCCC1(C2=CC=CC=C2C)OCCN(C)C

InChI

InChI=1S/C19H31NO/c1-5-17-11-8-9-13-19(17,21-15-14-20(3)4)18-12-7-6-10-16(18)2/h6-7,10,12,17H,5,8-9,11,13-15H2,1-4H3

InChIKey

ISANRSKHVICEGR-UHFFFAOYSA-N

Compound name

2-[2-ethyl-1-(2-methylphenyl)cyclohexyl]oxy-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.24057 Da
Monoisotopic Mass: 4.4
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]+	290.247846	173.1
[M+Na]+	312.229788	176.5
[M-H]-	288.233294	179.8
[M+NH4]+	307.274393	190.9
[M+K]+	328.203728	174.3
[M+H-H2O]+	272.237830	165.2
[M+HCOO]-	334.238771	193.2
[M+CH3COO]-	348.254421	210.2
[M+Na-2H]-	310.215236	174.7
[M]+	289.24002142	172.6
[M]-	289.24111858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.