CID 3158583

31466-44-1

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

C1COCCN1C(CN)C2=CC=CC=C2

InChI

InChI=1S/C12H18N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-5,12H,6-10,13H2

InChIKey

WSNSRJWLIVDXDI-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 86
Patents: 206.1419 Da
Monoisotopic Mass: 0.5
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]+	207.14918	148.6
[M+Na]+	229.13112	160.0
[M+NH4]+	224.17572	157.2
[M+K]+	245.10506	153.8
[M-H]-	205.13462	154.1
[M+Na-2H]-	227.11657	155.6
[M]+	206.14135	151.7
[M]-	206.14245	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe