CID 2846949

37656-66-9

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₂

SMILES

CCOC(=O)N1CCC(CC1)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H19ClN2O2/c1-2-19-14(18)17-9-7-13(8-10-17)16-12-5-3-11(15)4-6-12/h3-6,13,16H,2,7-10H2,1H3

InChIKey

MOVXNHXUSMSOGD-UHFFFAOYSA-N

Compound name

ethyl 4-(4-chloroanilino)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 282.1135 Da
Monoisotopic Mass: 3.4
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]+	283.120776	164.7
[M+Na]+	305.102718	170.0
[M-H]-	281.106224	169.0
[M+NH4]+	300.147323	179.6
[M+K]+	321.076658	165.8
[M+H-H2O]+	265.110760	156.9
[M+HCOO]-	327.111701	179.5
[M+CH3COO]-	341.127351	199.4
[M+Na-2H]-	303.088166	167.1
[M]+	282.11295142	163.6
[M]-	282.11404858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe