CID 78796

5117-13-5

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CC(=C)C(=O)N1CCOCC1

InChI

InChI=1S/C8H13NO2/c1-7(2)8(10)9-3-5-11-6-4-9/h1,3-6H2,2H3

InChIKey

AKVUWTYSNLGBJY-UHFFFAOYSA-N

Compound name

2-methyl-1-morpholin-4-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9076
Patents: 155.09464 Da
Monoisotopic Mass: 0.3
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]+	156.10192	133.7
[M+Na]+	178.08386	138.7
[M-H]-	154.08736	135.7
[M+NH4]+	173.12846	151.7
[M+K]+	194.05780	139.3
[M+H-H2O]+	138.09190	127.4
[M+HCOO]-	200.09284	150.9
[M+CH3COO]-	214.10849	175.3
[M+Na-2H]-	176.06931	138.0
[M]+	155.09409	130.2
[M]-	155.09519	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe