CID 532089

53868-72-7

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CC(=CC(=O)N1CCOCC1)C

InChI

InChI=1S/C9H15NO2/c1-8(2)7-9(11)10-3-5-12-6-4-10/h7H,3-6H2,1-2H3

InChIKey

LWMJXIOGNGBCNT-UHFFFAOYSA-N

Compound name

3-methyl-1-morpholin-4-ylbut-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 169.11028 Da
Monoisotopic Mass: 0.8
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]+	170.11756	138.6
[M+Na]+	192.09950	143.2
[M-H]-	168.10300	140.5
[M+NH4]+	187.14410	156.1
[M+K]+	208.07344	143.6
[M+H-H2O]+	152.10754	132.1
[M+HCOO]-	214.10848	155.5
[M+CH3COO]-	228.12413	177.7
[M+Na-2H]-	190.08495	142.3
[M]+	169.10973	135.4
[M]-	169.11083	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe