CID 333085

1,2,4-oxadiazolidine-3,5-dione

Structural Information

Molecular Formula
C2H2N2O3
SMILES
C1(=O)NC(=O)ON1
InChI
InChI=1S/C2H2N2O3/c5-1-3-2(6)7-4-1/h(H2,3,4,5,6)
InChIKey
XDENVSFWQSKKLZ-UHFFFAOYSA-N
Compound name
1,2,4-oxadiazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

657
Patents

102.00654 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.01382 111.2
[M+Na]+ 124.99576 122.0
[M-H]- 100.99926 110.9
[M+NH4]+ 120.04036 130.8
[M+K]+ 140.96970 121.2
[M+H-H2O]+ 85.003800 105.6
[M+HCOO]- 147.00474 133.1
[M+CH3COO]- 161.02039 156.0
[M+Na-2H]- 122.98121 119.6
[M]+ 102.00599 110.3
[M]- 102.00709 110.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe