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

6
Patents

153.04259 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 123.6
[M+Na]+ 176.031808 133.6
[M-H]- 152.035314 124.9
[M+NH4]+ 171.076413 140.0
[M+K]+ 192.005748 132.3
[M+H-H2O]+ 136.039850 111.6
[M+HCOO]- 198.040791 138.1
[M+CH3COO]- 212.056441 182.9
[M+Na-2H]- 174.017256 129.1
[M]+ 153.04204142 117.5
[M]- 153.04313858 117.5
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