CID 50987527

4-[1-(morpholin-4-yl)ethyl]aniline

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CC(C1=CC=C(C=C1)N)N2CCOCC2

InChI

InChI=1S/C12H18N2O/c1-10(14-6-8-15-9-7-14)11-2-4-12(13)5-3-11/h2-5,10H,6-9,13H2,1H3

InChIKey

KGNACZCVKXGKEX-UHFFFAOYSA-N

Compound name

4-(1-morpholin-4-ylethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 206.1419 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]+	207.14918	148.5
[M+Na]+	229.13112	152.8
[M-H]-	205.13462	153.0
[M+NH4]+	224.17572	163.7
[M+K]+	245.10506	151.3
[M+H-H2O]+	189.13916	140.3
[M+HCOO]-	251.14010	166.6
[M+CH3COO]-	265.15575	187.9
[M+Na-2H]-	227.11657	152.8
[M]+	206.14135	143.1
[M]-	206.14245	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe