CID 291349

4-morpholinobenzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1COCCN1C2=CC=C(C=C2)C=O

InChI

InChI=1S/C11H13NO2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,9H,5-8H2

InChIKey

FOAQOAXQMISINY-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1861
Patents: 191.09464 Da
Monoisotopic Mass: 0.8
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]+	192.101916	140.4
[M+Na]+	214.083858	146.5
[M-H]-	190.087364	145.7
[M+NH4]+	209.128463	156.9
[M+K]+	230.057798	145.3
[M+H-H2O]+	174.091900	132.6
[M+HCOO]-	236.092841	159.9
[M+CH3COO]-	250.108491	181.0
[M+Na-2H]-	212.069306	147.3
[M]+	191.09409142	137.8
[M]-	191.09518858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe