CID 6485064

3-(morpholine-4-carbonyl)aniline

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2

InChIKey

RFFVEVKGZGRRCP-UHFFFAOYSA-N

Compound name

(3-aminophenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 226
Patents: 206.10553 Da
Monoisotopic Mass: 0.3
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]+	207.112806	146.0
[M+Na]+	229.094748	151.0
[M-H]-	205.098254	150.8
[M+NH4]+	224.139353	161.2
[M+K]+	245.068688	149.8
[M+H-H2O]+	189.102790	137.9
[M+HCOO]-	251.103731	164.9
[M+CH3COO]-	265.119381	185.5
[M+Na-2H]-	227.080196	150.9
[M]+	206.10498142	141.0
[M]-	206.10607858	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe