CID 848710

F 1539

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₂

SMILES

C1CCN(C1)CCNC(=O)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H19ClN2O2/c15-12-3-5-13(6-4-12)19-11-14(18)16-7-10-17-8-1-2-9-17/h3-6H,1-2,7-11H2,(H,16,18)

InChIKey

LFCHKKPPZPEOPN-UHFFFAOYSA-N

Compound name

2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 282.1135 Da
Monoisotopic Mass: 2.4
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	165.7
[M+Na]+	305.102718	170.8
[M-H]-	281.106224	169.9
[M+NH4]+	300.147323	182.0
[M+K]+	321.076658	166.4
[M+H-H2O]+	265.110760	157.8
[M+HCOO]-	327.111701	182.6
[M+CH3COO]-	341.127351	198.3
[M+Na-2H]-	303.088166	167.1
[M]+	282.11295142	166.3
[M]-	282.11404858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe