CID 16461923

866782-00-5

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂O

SMILES

C1COCCN1C(CN)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2

InChIKey

OIWUWMGJYGAUJR-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-2-morpholin-4-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 240.10294 Da
Monoisotopic Mass: 1.1
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]+	241.11022	155.2
[M+Na]+	263.09216	160.1
[M-H]-	239.09566	159.4
[M+NH4]+	258.13676	169.9
[M+K]+	279.06610	156.9
[M+H-H2O]+	223.10020	147.5
[M+HCOO]-	285.10114	168.6
[M+CH3COO]-	299.11679	191.6
[M+Na-2H]-	261.07761	158.9
[M]+	240.10239	151.9
[M]-	240.10349	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe