CID 6484182

91271-83-9

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

C1COCCN1CC2=CC=CC(=C2)CN

InChI

InChI=1S/C12H18N2O/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14/h1-3,8H,4-7,9-10,13H2

InChIKey

JCIFAZAIURDZQN-UHFFFAOYSA-N

Compound name

[3-(morpholin-4-ylmethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 62
Patents: 206.1419 Da
Monoisotopic Mass: 0.4
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	148.3
[M+Na]+	229.13112	160.4
[M+NH4]+	224.17572	156.9
[M+K]+	245.10506	153.5
[M-H]-	205.13462	154.0
[M+Na-2H]-	227.11657	155.4
[M]+	206.14135	151.5
[M]-	206.14245	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe