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 123.6
[M+Na]+ 176.03181 133.6
[M-H]- 152.03531 124.9
[M+NH4]+ 171.07641 140.0
[M+K]+ 192.00575 132.3
[M+H-H2O]+ 136.03985 111.6
[M+HCOO]- 198.04079 138.1
[M+CH3COO]- 212.05644 182.9
[M+Na-2H]- 174.01726 129.1
[M]+ 153.04204 117.5
[M]- 153.04314 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