PubChemLite - Dextilidine (C17H23NO2)

Structural Information

Molecular Formula

SMILES

CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m1/s1

InChIKey

WDEFBBTXULIOBB-WBVHZDCISA-N

Compound name

ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate

Related CIDs

2D Structure

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]+	274.18016	166.1
[M+Na]+	296.16210	177.9
[M+NH4]+	291.20670	175.9
[M+K]+	312.13604	169.0
[M-H]-	272.16560	170.9
[M+Na-2H]-	294.14755	175.2
[M]+	273.17233	169.3
[M]-	273.17343	169.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

274.18016

166.1

[M+Na]+

296.16210

177.9

[M+NH4]+

291.20670

175.9

[M+K]+

312.13604

169.0

[M-H]-

272.16560

170.9

[M+Na-2H]-

294.14755

175.2

[M]+

273.17233

169.3

[M]-

273.17343

169.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dextilidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe