CID 2737013

N-[2-(morpholin-4-yl)ethyl]aniline

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

C1COCCN1CCNC2=CC=CC=C2

InChI

InChI=1S/C12H18N2O/c1-2-4-12(5-3-1)13-6-7-14-8-10-15-11-9-14/h1-5,13H,6-11H2

InChIKey

SAZUWZDBGLLRTE-UHFFFAOYSA-N

Compound name

N-(2-morpholin-4-ylethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 206.1419 Da
Monoisotopic Mass: 1.6
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	146.8
[M+Na]+	229.13112	150.3
[M-H]-	205.13462	151.3
[M+NH4]+	224.17572	162.0
[M+K]+	245.10506	148.8
[M+H-H2O]+	189.13916	138.2
[M+HCOO]-	251.14010	166.5
[M+CH3COO]-	265.15575	186.5
[M+Na-2H]-	227.11657	154.2
[M]+	206.14135	142.6
[M]-	206.14245	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe