CID 2795498

4-[(morpholin-4-yl)methyl]benzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1COCCN1CC2=CC=C(C=C2)C=O

InChI

InChI=1S/C12H15NO2/c14-10-12-3-1-11(2-4-12)9-13-5-7-15-8-6-13/h1-4,10H,5-9H2

InChIKey

KMAHWHPUXGNVBN-UHFFFAOYSA-N

Compound name

4-(morpholin-4-ylmethyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
Patents: 205.11028 Da
Monoisotopic Mass: 1.0
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]+	206.117556	145.1
[M+Na]+	228.099498	150.7
[M-H]-	204.103004	150.2
[M+NH4]+	223.144103	160.9
[M+K]+	244.073438	149.3
[M+H-H2O]+	188.107540	137.0
[M+HCOO]-	250.108481	164.2
[M+CH3COO]-	264.124131	184.0
[M+Na-2H]-	226.084946	151.3
[M]+	205.10973142	142.8
[M]-	205.11082858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe