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 151.2
[M+Na]+ 257.05328 160.8
[M+NH4]+ 252.09788 157.3
[M+K]+ 273.02722 157.6
[M-H]- 233.05678 149.9
[M+Na-2H]- 255.03873 155.6
[M]+ 234.06351 151.8
[M]- 234.06461 151.8
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