CID 18549575

105315-95-5

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

C1COCCN1C2=CC(=C(C=C2)N)Cl

InChI

InChI=1S/C10H13ClN2O/c11-9-7-8(1-2-10(9)12)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2

InChIKey

GEJFFFJUVXSVCT-UHFFFAOYSA-N

Compound name

2-chloro-4-morpholin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 79
Patents: 212.07164 Da
Monoisotopic Mass: 2.0
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]+	213.078916	146.2
[M+Na]+	235.060858	153.3
[M-H]-	211.064364	151.1
[M+NH4]+	230.105463	162.5
[M+K]+	251.034798	150.1
[M+H-H2O]+	195.068900	139.1
[M+HCOO]-	257.069841	161.3
[M+CH3COO]-	271.085491	158.1
[M+Na-2H]-	233.046306	151.4
[M]+	212.07109142	143.2
[M]-	212.07218858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe