CID 16770980

2-methyl-3-(morpholine-4-carbonyl)aniline

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CC1=C(C=CC=C1N)C(=O)N2CCOCC2

InChI

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

InChIKey

UYGPWJXLWMROQH-UHFFFAOYSA-N

Compound name

(3-amino-2-methylphenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 220.12119 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]+	221.128466	150.8
[M+Na]+	243.110408	156.4
[M-H]-	219.113914	155.9
[M+NH4]+	238.155013	165.8
[M+K]+	259.084348	154.9
[M+H-H2O]+	203.118450	142.8
[M+HCOO]-	265.119391	169.4
[M+CH3COO]-	279.135041	189.7
[M+Na-2H]-	241.095856	154.4
[M]+	220.12064142	146.6
[M]-	220.12173858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe