CID 79467876

4-(prop-2-yn-1-yl)morpholin-3-one

Structural Information

Molecular Formula

SMILES

C#CCN1CCOCC1=O

InChI

InChI=1S/C7H9NO2/c1-2-3-8-4-5-10-6-7(8)9/h1H,3-6H2

InChIKey

QRZBCKYEVNIPSA-UHFFFAOYSA-N

Compound name

4-prop-2-ynylmorpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 139.06332 Da
Monoisotopic Mass: -0.5
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]+	140.07060	122.1
[M+Na]+	162.05254	131.2
[M-H]-	138.05604	123.1
[M+NH4]+	157.09714	138.9
[M+K]+	178.02648	129.9
[M+H-H2O]+	122.06058	110.0
[M+HCOO]-	184.06152	136.3
[M+CH3COO]-	198.07717	180.7
[M+Na-2H]-	160.03799	128.3
[M]+	139.06277	115.0
[M]-	139.06387	115.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe