CID 57617608

943551-58-4

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CCNC1CCC(CC1)C(=O)OCC

InChI

InChI=1S/C11H21NO2/c1-3-12-10-7-5-9(6-8-10)11(13)14-4-2/h9-10,12H,3-8H2,1-2H3

InChIKey

UCLDINYUVODFTJ-UHFFFAOYSA-N

Compound name

ethyl 4-(ethylamino)cyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 199.15723 Da
Monoisotopic Mass: 1.7
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]+	200.16451	147.7
[M+Na]+	222.14645	151.3
[M-H]-	198.14995	150.2
[M+NH4]+	217.19105	166.6
[M+K]+	238.12039	150.4
[M+H-H2O]+	182.15449	141.5
[M+HCOO]-	244.15543	167.9
[M+CH3COO]-	258.17108	187.8
[M+Na-2H]-	220.13190	150.2
[M]+	199.15668	145.1
[M]-	199.15778	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe