CID 23136837

4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17)
InChIKey
GQOVIFKCRUPMQR-UHFFFAOYSA-N
Compound name
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

234.06406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 149.3
[M+Na]+ 257.05328 157.7
[M-H]- 233.05678 150.1
[M+NH4]+ 252.09788 166.0
[M+K]+ 273.02722 153.6
[M+H-H2O]+ 217.06132 143.2
[M+HCOO]- 279.06226 165.9
[M+CH3COO]- 293.07791 181.5
[M+Na-2H]- 255.03873 151.2
[M]+ 234.06351 145.3
[M]- 234.06461 145.3
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