CID 81773009

5-(prop-2-yn-1-yl)imidazolidine-2,4-dione

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C#CCC1C(=O)NC(=O)N1
InChI
InChI=1S/C6H6N2O2/c1-2-3-4-5(9)8-6(10)7-4/h1,4H,3H2,(H2,7,8,9,10)
InChIKey
DGBBEOKBIXFOPB-UHFFFAOYSA-N
Compound name
5-prop-2-ynylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

138.04292 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 126.7
[M+Na]+ 161.032138 136.7
[M-H]- 137.035644 123.7
[M+NH4]+ 156.076743 143.7
[M+K]+ 177.006078 132.9
[M+H-H2O]+ 121.040180 114.3
[M+HCOO]- 183.041121 139.7
[M+CH3COO]- 197.056771 175.9
[M+Na-2H]- 159.017586 128.9
[M]+ 138.04237142 117.1
[M]- 138.04346858 117.1
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