CID 4121132

77280-29-6

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₂

SMILES

CC1CN(CC(O1)C)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H17ClN2O2/c1-9-7-16(8-10(2)18-9)13(17)15-12-5-3-4-11(14)6-12/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)

InChIKey

HHRIWYHSXVKMKP-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.09787 Da
Monoisotopic Mass: 2.2
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]+	269.105146	162.0
[M+Na]+	291.087088	168.8
[M-H]-	267.090594	167.6
[M+NH4]+	286.131693	176.5
[M+K]+	307.061028	165.7
[M+H-H2O]+	251.095130	154.6
[M+HCOO]-	313.096071	176.2
[M+CH3COO]-	327.111721	197.7
[M+Na-2H]-	289.072536	164.8
[M]+	268.09732142	161.5
[M]-	268.09841858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.