CID 2404875

2-cyano-n-[2-(morpholin-4-yl)ethyl]acetamide

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

C1COCCN1CCNC(=O)CC#N

InChI

InChI=1S/C9H15N3O2/c10-2-1-9(13)11-3-4-12-5-7-14-8-6-12/h1,3-8H2,(H,11,13)

InChIKey

XTRYMEQPQFHLFW-UHFFFAOYSA-N

Compound name

2-cyano-N-(2-morpholin-4-ylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 197.11642 Da
Monoisotopic Mass: -0.9
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]+	198.123696	140.4
[M+Na]+	220.105638	146.1
[M-H]-	196.109144	141.5
[M+NH4]+	215.150243	154.5
[M+K]+	236.079578	145.6
[M+H-H2O]+	180.113680	126.4
[M+HCOO]-	242.114621	155.9
[M+CH3COO]-	256.130271	196.5
[M+Na-2H]-	218.091086	145.6
[M]+	197.11587142	133.0
[M]-	197.11696858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe