CID 16777119

1803598-90-4

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

C1COCCN1C(=O)C2=CC=CC(=C2)CN

InChI

InChI=1S/C12H16N2O2/c13-9-10-2-1-3-11(8-10)12(15)14-4-6-16-7-5-14/h1-3,8H,4-7,9,13H2

InChIKey

YIQLNDBCIPRMNA-UHFFFAOYSA-N

Compound name

[3-(aminomethyl)phenyl]-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 220.12119 Da
Monoisotopic Mass: -0.1
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]+	221.12847	150.7
[M+Na]+	243.11041	162.0
[M+NH4]+	238.15501	158.3
[M+K]+	259.08435	156.4
[M-H]-	219.11391	155.4
[M+Na-2H]-	241.09586	156.8
[M]+	220.12064	153.4
[M]-	220.12174	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe