CID 2517683

4-[(methylamino)acetyl]morpholine

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

CNCC(=O)N1CCOCC1

InChI

InChI=1S/C7H14N2O2/c1-8-6-7(10)9-2-4-11-5-3-9/h8H,2-6H2,1H3

InChIKey

BHUKCEYZKFAGEY-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 143
Patents: 158.10553 Da
Monoisotopic Mass: -1.0
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]+	159.112806	134.9
[M+Na]+	181.094748	139.3
[M-H]-	157.098254	136.9
[M+NH4]+	176.139353	152.5
[M+K]+	197.068688	140.2
[M+H-H2O]+	141.102790	128.0
[M+HCOO]-	203.103731	154.2
[M+CH3COO]-	217.119381	177.1
[M+Na-2H]-	179.080196	141.1
[M]+	158.10498142	131.6
[M]-	158.10607858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe