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

10
Patents

138.04292 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 126.7
[M+Na]+ 161.03214 136.7
[M-H]- 137.03564 123.7
[M+NH4]+ 156.07674 143.7
[M+K]+ 177.00608 132.9
[M+H-H2O]+ 121.04018 114.3
[M+HCOO]- 183.04112 139.7
[M+CH3COO]- 197.05677 175.9
[M+Na-2H]- 159.01759 128.9
[M]+ 138.04237 117.1
[M]- 138.04347 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