CID 53708503

4-(prop-2-yn-1-yl)morpholine-2,6-dione

Structural Information

Molecular Formula
C7H7NO3
SMILES
C#CCN1CC(=O)OC(=O)C1
InChI
InChI=1S/C7H7NO3/c1-2-3-8-4-6(9)11-7(10)5-8/h1H,3-5H2
InChIKey
BYWKVLVTTLXRBJ-UHFFFAOYSA-N
Compound name
4-prop-2-ynylmorpholine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.04259 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 131.3
[M+Na]+ 176.03181 142.3
[M+NH4]+ 171.07641 134.8
[M+K]+ 192.00575 134.8
[M-H]- 152.03531 124.5
[M+Na-2H]- 174.01726 132.2
[M]+ 153.04204 129.9
[M]- 153.04314 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe