CID 707647

2302-14-9

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O₂

SMILES

C1COCCN1C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H13ClN2O2/c12-9-2-1-3-10(8-9)13-11(15)14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)

InChIKey

LUNHYLVUBLLZMK-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)morpholine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 15
Patents: 240.06656 Da
Monoisotopic Mass: 1.4
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]+	241.073836	152.3
[M+Na]+	263.055778	158.1
[M-H]-	239.059284	157.4
[M+NH4]+	258.100383	167.3
[M+K]+	279.029718	155.4
[M+H-H2O]+	223.063820	144.7
[M+HCOO]-	285.064761	167.2
[M+CH3COO]-	299.080411	189.2
[M+Na-2H]-	261.041226	157.7
[M]+	240.06601142	150.3
[M]-	240.06710858	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe