CID 2098017

744243-43-4

Structural Information

Molecular Formula
C8H6N2O4
SMILES
C1=COC(=C1)CN2C(=O)C(=O)NC2=O
InChI
InChI=1S/C8H6N2O4/c11-6-7(12)10(8(13)9-6)4-5-2-1-3-14-5/h1-3H,4H2,(H,9,11,13)
InChIKey
FYFXGELWLVTAAF-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)imidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.03276 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04004 136.4
[M+Na]+ 217.02198 146.2
[M-H]- 193.02548 140.7
[M+NH4]+ 212.06658 154.6
[M+K]+ 232.99592 144.9
[M+H-H2O]+ 177.03002 130.2
[M+HCOO]- 239.03096 157.7
[M+CH3COO]- 253.04661 177.2
[M+Na-2H]- 215.00743 138.9
[M]+ 194.03221 136.6
[M]- 194.03331 136.6
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

No patent data available for this compound.