CID 207206

Brn 1996829

Structural Information

Molecular Formula

C₁₉H₂₉NO₂

SMILES

CCN(CC)CCOC(=O)C1(CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C19H29NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3

InChIKey

LUPORYLKHVXGFV-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 1-phenylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 303.21982 Da
Monoisotopic Mass: 4.5
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]+	304.22710	176.9
[M+Na]+	326.20904	178.4
[M-H]-	302.21254	182.9
[M+NH4]+	321.25364	193.3
[M+K]+	342.18298	176.6
[M+H-H2O]+	286.21708	168.5
[M+HCOO]-	348.21802	196.4
[M+CH3COO]-	362.23367	209.2
[M+Na-2H]-	324.19449	178.6
[M]+	303.21927	175.6
[M]-	303.22037	175.6

Literature stripe

literature stripe

Patent stripe

patents stripe