CID 118972738

1888418-59-4

Structural Information

Molecular Formula
C9H8N2O5
SMILES
C1=COC(=C1)C2C(=O)N(C(=O)N2)CC(=O)O
InChI
InChI=1S/C9H8N2O5/c12-6(13)4-11-8(14)7(10-9(11)15)5-2-1-3-16-5/h1-3,7H,4H2,(H,10,15)(H,12,13)
InChIKey
XMJYXXGETQXLRY-UHFFFAOYSA-N
Compound name
2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

224.04332 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05060 144.5
[M+Na]+ 247.03254 152.8
[M-H]- 223.03604 147.4
[M+NH4]+ 242.07714 160.6
[M+K]+ 263.00648 151.5
[M+H-H2O]+ 207.04058 138.3
[M+HCOO]- 269.04152 163.1
[M+CH3COO]- 283.05717 181.0
[M+Na-2H]- 245.01799 145.0
[M]+ 224.04277 144.0
[M]- 224.04387 144.0
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