CID 847768

3-morpholinoaniline

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

C1COCCN1C2=CC=CC(=C2)N

InChI

InChI=1S/C10H14N2O/c11-9-2-1-3-10(8-9)12-4-6-13-7-5-12/h1-3,8H,4-7,11H2

InChIKey

ZJWLMZURLIHVHE-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 856
Patents: 178.11061 Da
Monoisotopic Mass: 0.7
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]+	179.11789	138.7
[M+Na]+	201.09983	144.2
[M-H]-	177.10333	143.6
[M+NH4]+	196.14443	155.2
[M+K]+	217.07377	142.7
[M+H-H2O]+	161.10787	130.9
[M+HCOO]-	223.10881	158.6
[M+CH3COO]-	237.12446	150.8
[M+Na-2H]-	199.08528	145.4
[M]+	178.11006	133.3
[M]-	178.11116	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe