CID 21108714

4-(2-oxoimidazolidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1CN(C(=O)N1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H10N2O3/c13-9(14)7-1-3-8(4-2-7)12-6-5-11-10(12)15/h1-4H,5-6H2,(H,11,15)(H,13,14)
InChIKey
LCRVPYNHLNDERG-UHFFFAOYSA-N
Compound name
4-(2-oxoimidazolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

206.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 143.4
[M+Na]+ 229.05836 150.7
[M-H]- 205.06186 145.0
[M+NH4]+ 224.10296 159.7
[M+K]+ 245.03230 147.3
[M+H-H2O]+ 189.06640 136.1
[M+HCOO]- 251.06734 161.4
[M+CH3COO]- 265.08299 178.6
[M+Na-2H]- 227.04381 145.5
[M]+ 206.06859 139.3
[M]- 206.06969 139.3
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