CID 792284

13606-73-0

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CC1=CC(=CC=C1)NC(=O)N2CCOCC2

InChI

InChI=1S/C12H16N2O2/c1-10-3-2-4-11(9-10)13-12(15)14-5-7-16-8-6-14/h2-4,9H,5-8H2,1H3,(H,13,15)

InChIKey

DAOIJTZMMBZCQJ-UHFFFAOYSA-N

Compound name

N-(3-methylphenyl)morpholine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 220.12119 Da
Monoisotopic Mass: 1.3
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	150.2
[M+Na]+	243.110408	154.9
[M-H]-	219.113914	155.5
[M+NH4]+	238.155013	165.2
[M+K]+	259.084348	153.8
[M+H-H2O]+	203.118450	141.9
[M+HCOO]-	265.119391	169.5
[M+CH3COO]-	279.135041	188.5
[M+Na-2H]-	241.095856	155.6
[M]+	220.12064142	146.5
[M]-	220.12173858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe