CID 98723

5117-12-4

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C=CC(=O)N1CCOCC1

InChI

InChI=1S/C7H11NO2/c1-2-7(9)8-3-5-10-6-4-8/h2H,1,3-6H2

InChIKey

XLPJNCYCZORXHG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 22
References: 62804
Patents: 141.07898 Da
Monoisotopic Mass: -0.1
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]+	142.086256	129.0
[M+Na]+	164.068198	134.6
[M-H]-	140.071704	131.1
[M+NH4]+	159.112803	147.5
[M+K]+	180.042138	135.0
[M+H-H2O]+	124.076240	122.7
[M+HCOO]-	186.077181	147.5
[M+CH3COO]-	200.092831	171.4
[M+Na-2H]-	162.053646	135.0
[M]+	141.07843142	125.7
[M]-	141.07952858	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe