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]+	221.128466	150.6
[M+Na]+	243.110408	155.2
[M-H]-	219.113914	155.2
[M+NH4]+	238.155013	165.2
[M+K]+	259.084348	153.7
[M+H-H2O]+	203.118450	142.3
[M+HCOO]-	265.119391	169.1
[M+CH3COO]-	279.135041	188.5
[M+Na-2H]-	241.095856	154.9
[M]+	220.12064142	145.9
[M]-	220.12173858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe