CID 16622

Eticyclidine

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CCNC1(CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H21N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3

InChIKey

IFYLVUHLOOCYBG-UHFFFAOYSA-N

Compound name

N-ethyl-1-phenylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 9
References: 1532
Patents: 203.1674 Da
Monoisotopic Mass: 3.3
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]+	204.174676	148.2
[M+Na]+	226.156618	151.9
[M-H]-	202.160124	153.8
[M+NH4]+	221.201223	168.4
[M+K]+	242.130558	148.8
[M+H-H2O]+	186.164660	141.2
[M+HCOO]-	248.165601	169.4
[M+CH3COO]-	262.181251	187.5
[M+Na-2H]-	224.142066	154.6
[M]+	203.16685142	142.5
[M]-	203.16794858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe