CID 3826116

68319-34-6

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

C1COCCN1C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C13H18N2O2/c14-12(10-11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15/h1-5,12H,6-10,14H2

InChIKey

NUAMZZJTBNPSTD-UHFFFAOYSA-N

Compound name

2-amino-1-morpholin-4-yl-3-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 234.13683 Da
Monoisotopic Mass: 0.4
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]+	235.14411	155.2
[M+Na]+	257.12605	158.1
[M-H]-	233.12955	159.4
[M+NH4]+	252.17065	168.8
[M+K]+	273.09999	156.9
[M+H-H2O]+	217.13409	146.6
[M+HCOO]-	279.13503	172.4
[M+CH3COO]-	293.15068	191.3
[M+Na-2H]-	255.11150	158.6
[M]+	234.13628	149.9
[M]-	234.13738	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe