CID 28063057

4-(2,4-dioxoimidazolidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1C(=O)NC(=O)N1C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H8N2O4/c13-8-5-12(10(16)11-8)7-3-1-6(2-4-7)9(14)15/h1-4H,5H2,(H,14,15)(H,11,13,16)
InChIKey
OKHQUQUPALGCKL-UHFFFAOYSA-N
Compound name
4-(2,4-dioxoimidazolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.0484 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05568 144.7
[M+Na]+ 243.03762 153.0
[M-H]- 219.04112 146.7
[M+NH4]+ 238.08222 160.6
[M+K]+ 259.01156 149.6
[M+H-H2O]+ 203.04566 137.6
[M+HCOO]- 265.04660 163.1
[M+CH3COO]- 279.06225 181.3
[M+Na-2H]- 241.02307 146.3
[M]+ 220.04785 141.8
[M]- 220.04895 141.8
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