CID 7060570

179328-22-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CNCC1=CC=C(C=C1)N2CCOCC2

InChI

InChI=1S/C12H18N2O/c1-13-10-11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,13H,6-10H2,1H3

InChIKey

LLNHXXWEDXRMFE-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-morpholin-4-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 206.1419 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]+	207.14918	148.1
[M+Na]+	229.13112	160.6
[M+NH4]+	224.17572	156.9
[M+K]+	245.10506	153.4
[M-H]-	205.13462	154.0
[M+Na-2H]-	227.11657	155.7
[M]+	206.14135	151.5
[M]-	206.14245	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe